Last update:
Wed Nov 8 15:07:06 MST 2023
Liqiang Wei Unified approach for exact calculation
of angular momentum coupling and
recoupling coefficients . . . . . . . . 222--230
Hong Wei Yang A FDTD analysis on magnetized plasma of
Epstein distribution and reflection
calculation . . . . . . . . . . . . . . 55--60
Hongli Yang and
Xinyuan Wu and
Xiong You and
Yonglei Fang Extended RKN-type methods for numerical
integration of perturbed oscillators . . 1777--1794
M. M. Rashidi The modified differential transform
method for solving MHD boundary-layer
equations . . . . . . . . . . . . . . . 2210--2217
S. Nath TERS v2.0: An improved version of TERS 2392--2393
Vineet K. Singh and
Rajesh K. Pandey and
Saurabh Singh A stable algorithm for Hankel transforms
using hybrid of Block-pulse and Legendre
polynomials . . . . . . . . . . . . . . 1--10
Weiwei Cai and
Lin Ma Applications of critical temperature in
minimizing functions of continuous
variables with simulated annealing
algorithm . . . . . . . . . . . . . . . 11--16
N. Mohankumar and
S. Sen and
R. Ramar On the evaluation of correction terms in
Gauss--Legendre quadrature . . . . . . . 17--20
M. Amaku and
P. R. Pascholati and
V. R. Vanin Decay chain differential equations:
Solution through matrix algebra . . . . 21--23
M. Aldegunde and
Natalia Seoane and
A. J. García-Loureiro and
K. Kalna Reduction of the self-forces in Monte
Carlo simulations of semiconductor
devices on unstructured meshes . . . . . 24--34
M. Zacarés and
M. Arevalillo-Herráez and
S. Abraham A group-theory method to find stationary
states in nonlinear discrete symmetry
systems . . . . . . . . . . . . . . . . 35--42
Mehdi Dehghan and
Ameneh Taleei A compact split-step finite difference
method for solving the nonlinear
Schrödinger equations with constant and
variable coefficients . . . . . . . . . 43--51
Liming Zhang and
Ali Deng and
Minghong Wang and
Shaoqing Yang Numerical study of a novel MFIE
formulation using monopolar RWG basis
functions . . . . . . . . . . . . . . . 52--60
H. Frerichs and
D. Reiter and
Y. Feng and
D. Harting Block-structured grids in Lagrangian
$3$D edge plasma transport simulations 61--70
Robert C. Tautz A new simulation code for particle
diffusion in anisotropic, large-scale
and turbulent magnetic fields . . . . . 71--77
J. Rashidinia and
R. Mohammadi Tension spline approach for the
numerical solution of nonlinear
Klein--Gordon equation . . . . . . . . . 78--91
J. L. Movilla and
J. I. Climente and
J. Planelles Dielectric polarization in
axially-symmetric nanostructures: a
computational approach . . . . . . . . . 92--98
Jae-Suk Yang and
Wooseop Kwak Application of Wang--Landau sampling to
a protein model using SMMP . . . . . . . 99--104
F. Molnár, Jr. and
T. Szakály and
R. Mészáros and
I. Lagzi Air pollution modelling using a Graphics
Processing Unit with CUDA . . . . . . . 105--112
T. Sakurai and
H. Tadano and
Y. Kuramashi Application of block Krylov subspace
algorithms to the Wilson--Dirac equation
with multiple right-hand sides in
lattice QCD . . . . . . . . . . . . . . 113--117
Anna Ma\'nka-Kraso\'n and
Advera Mwijage and
Krzysztof Kulakowski Clustering in random line graphs . . . . 118--121
M. ElKacimi and
D. Goujdami and
H. Przysiezniak and
P. Skands One universal extra dimension in Pythia 122--127
D. Conte and
E. Esposito and
B. Paternoster and
L. Gr. Ixaru Some new uses of the $ \eta m ({Z}) $
functions . . . . . . . . . . . . . . . 128--137
P. Bechtle and
O. Brein and
S. Heinemeyer and
G. Weiglein and
K. E. Williams HiggsBounds: Confronting arbitrary Higgs
sectors with exclusion bounds from LEP
and the Tevatron . . . . . . . . . . . . 138--167
I. I. Gontchar and
M. V. Chushnyakova A C-code for the double folding
interaction potential of two spherical
nuclei . . . . . . . . . . . . . . . . . 168--182
M. Januszewski and
M. Kostur Accelerating numerical solution of
stochastic differential equations with
CUDA . . . . . . . . . . . . . . . . . . 183--188
David Eriksson and
Johan Rathsman and
Oscar Stål 2HDMC --- two-Higgs-doublet model
calculator . . . . . . . . . . . . . . . 189--205
Evgeny Z. Liverts and
Nir Barnea The two-electron atomic systems.
$S$-states . . . . . . . . . . . . . . . 206--212
Guy Engelhard and
Jonathan L. Feng and
Iftah Galon and
David Sanford and
Felix Yu SPICE: Simulation Package for Including
Flavor in Collider Events . . . . . . . 213--226
Mattias Blennow and
Enrique Fernandez-Martinez Neutrino oscillation parameter sampling
with MonteCUBES . . . . . . . . . . . . 227--231
B. C. Allanach and
M. A. Bernhard Including $R$-parity violation in the
numerical computation of the spectrum of
the Minimal Supersymmetric Standard
Model: SOFTSUSY3.0 . . . . . . . . . . . 232--245
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iv--vi
Anonymous Editorial Board . . . . . . . . . . . . ??
Thomas Unfer and
Jean-Pierre Boeuf and
François Rogier and
Frédéric Thivet Multi-scale gas discharge simulations
using asynchronous adaptive mesh
refinement . . . . . . . . . . . . . . . 247--258
Andrea Saltelli and
Paola Annoni and
Ivano Azzini and
Francesca Campolongo and
Marco Ratto and
Stefano Tarantola Variance based sensitivity analysis of
model output. Design and estimator for
the total sensitivity index . . . . . . 259--270
Liang Li and
Ting-Zhu Huang and
Yan-Fei Jing and
Yong Zhang Application of the incomplete Cholesky
factorization preconditioned Krylov
subspace method to the vector finite
element method for $3$-D electromagnetic
scattering problems . . . . . . . . . . 271--276
Masayuki Toyoda and
Taisuke Ozaki Fast spherical Bessel transform via fast
Fourier transform and recurrence formula 277--282
Eladio Gutiérrez and
Sergio Romero and
María A. Trenas and
Emilio L. Zapata Quantum computer simulation using the
CUDA programming model . . . . . . . . . 283--300
Duo Sun and
Rui Jiang and
Bing-Hong Wang Timing of traffic lights and phase
separation in two-dimensional traffic
flow . . . . . . . . . . . . . . . . . . 301--304
A. Andonov and
A. Arbuzov and
D. Bardin and
S. Bondarenko and
P. Christova and
L. Kalinovskaya and
V. Kolesnikov and
R. Sadykov Standard SANC modules . . . . . . . . . 305--312
Ji Qiang A high-order fast method for computing
convolution integral with smooth kernel 313--316
Cheng-shi Liu Applications of complete discrimination
system for polynomial for
classifications of traveling wave
solutions to nonlinear differential
equations . . . . . . . . . . . . . . . 317--324
Hanquan Wang An efficient Chebyshev--Tau spectral
method for Ginzburg--Landau--Schrödinger
equations . . . . . . . . . . . . . . . 325--340
David W. Holmes and
John R. Williams and
Peter Tilke An events based algorithm for
distributing concurrent tasks on
multi-core architectures . . . . . . . . 341--354
Marco D. Mazzeo and
Steven Manos and
Peter V. Coveney In situ ray tracing and computational
steering for interactive blood flow
simulation . . . . . . . . . . . . . . . 355--370
Predrag Lazi\'c and
Nicolae Atodiresei and
Mojtaba Alaei and
Vasile Caciuc and
Stefan Blügel and
Radovan Brako JuNoLo --- Jülich nonlocal code for
parallel post-processing evaluation of
vdW--DF correlation energy . . . . . . . 371--379
Matías Tueros and
Sergio Sciutto TIERRAS: a package to simulate high
energy cosmic ray showers underground,
underwater and under-ice . . . . . . . . 380--392
S. Jadach and
W. Placzek and
M. Skrzypek and
P. Stoklosa Markovian Monte Carlo program EvolFMC
v.2 for solving QCD evolution equations 393--412
Thomas Müller and
Frank Grave GeodesicViewer --- a tool for exploring
geodesics in the theory of relativity 413--419
D. Germanas and
R. K. Kalinauskas and
S. Mickevicius Calculation of four-particle
harmonic-oscillator transformation
brackets . . . . . . . . . . . . . . . . 420--425
A. Borgoo and
O. Scharf and
G. Gaigalas and
M. Godefroid Multiconfiguration electron density
function for the ATSP2K-package . . . . 426--439
T. Radtke and
S. Fritzsche Simulation of $n$-qubit quantum systems.
V. Quantum measurements . . . . . . . . 440--453
Anonymous Editorial Board . . . . . . . . . . . . ??
Xiao-Gang Wang and
Tucker Carrington, Jr. Parallel methods for high-dimensional
quantum dynamics . . . . . . . . . . . . 455--461
Simone Melchionna and
Massimo Bernaschi and
Sauro Succi and
Efthimios Kaxiras and
Frank J. Rybicki and
Dimitris Mitsouras and
Ahmet U. Coskun and
Charles L. Feldman Hydrokinetic approach to large-scale
cardiovascular blood flow . . . . . . . 462--472
Zhen-Ting Huang and
Huan-Chun Hsu and
Chau-Lyan Chang and
Chin-Tien Wu and
T. F. Jiang Momentum-time flux conservation method
for one-dimensional wave equations . . . 473--480
Sitao Ling and
Minghui Wang and
Musheng Wei Hermitian tridiagonal solution with the
least norm to quaternionic least squares
problem . . . . . . . . . . . . . . . . 481--488
Leo Brewin A brief introduction to Cadabra: a tool
for tensor computations in General
Relativity . . . . . . . . . . . . . . . 489--498
Marco Hülsmann and
Thorsten Köddermann and
Jadran Vrabec and
Dirk Reith GROW: a gradient-based optimization
workflow for the automated development
of molecular models . . . . . . . . . . 499--513
P. Kirby Calculation of radial prolate spheroidal
wave functions of the second kind . . . 514--519
Tadeusz Wegner and
Andrzej Peczak Implementation of a strain energy-based
nonlinear finite element in the
object-oriented environment . . . . . . 520--531
M. Antuono and
A. Colagrossi and
S. Marrone and
D. Molteni Free-surface flows solved by means of
SPH schemes with numerical diffusive
terms . . . . . . . . . . . . . . . . . 532--549
Jian-You Guo and
Miao Yu and
Jing Wang and
Bao-Mei Yao and
Peng Jiao A relativistic extension of the complex
scaling method using oscillator basis
functions . . . . . . . . . . . . . . . 550--556
Wei Jiang and
Yingzhen Lin Approximate solution of the fractional
advection-dispersion equation . . . . . 557--561
O. T. Kosmas and
D. S. Vlachos Phase-fitted discrete Lagrangian
integrators . . . . . . . . . . . . . . 562--568
M. D. Mazzeo and
M. Ricci and
C. Zannoni The Linked Neighbour List (LNL) method
for fast off-lattice Monte Carlo
simulations of fluids . . . . . . . . . 569--581
J. Blümlein and
D. J. Broadhurst and
J. A. M. Vermaseren The Multiple Zeta Value data mine . . . 582--625
Emmanuel Lorin and
A. D. Bandrauk Multiresolution scheme for
Time-Dependent Schrödinger Equation . . . 626--638
Yonglei Fang and
Qinghe Ming and
Xinyuan Wu Extended RKN-type methods with minimal
dispersion error for perturbed
oscillators . . . . . . . . . . . . . . 639--650
Moritz Riede and
Rico Schueppel and
Kristian O. Sylvester-Hvid and
Martin Kühne and
Michael C. Röttger and
Klaus Zimmermann and
Andreas W. Liehr On the communication of scientific data:
The Full-Metadata Format . . . . . . . . 651--662
Miglena N. Koleva and
Lubin G. Vulkov Two-grid quasilinearization approach to
ODEs with applications to model problems
in physics and mechanics . . . . . . . . 663--670
R. Yu and
J. Zhu and
H. Q. Ye Calculations of single-crystal elastic
constants made simple . . . . . . . . . 671--675
T. C. Petersen and
S. P. Ringer An electron tomography algorithm for
reconstructing $3$D morphology using
surface tangents of projected scattering
interfaces . . . . . . . . . . . . . . . 676--682
J. Lundberg and
J. Conrad and
W. Rolke and
A. Lopez Limits, discovery and cut optimization
for a Poisson process with uncertainty
in background and signal efficiency:
TRolke 2.0 . . . . . . . . . . . . . . . 683--686
Ardavan F. Oskooi and
David Roundy and
Mihai Ibanescu and
Peter Bermel and
J. D. Joannopoulos and
Steven G. Johnson Meep: a flexible free-software package
for electromagnetic simulations by the
FDTD method . . . . . . . . . . . . . . 687--702
Thomas Müller and
Frank Grave An updated version of the
Motion4D-library . . . . . . . . . . . . 703--703
Jaromir Tosiek The Fedosov $ \star $-product in
Mathematica . . . . . . . . . . . . . . 704--704
G. M. von Hippel TaylUR 3, a multivariate arbitrary-order
automatic differentiation package for
Fortran 95 . . . . . . . . . . . . . . . 705--706
Andrzej Daniluk Model-Driven Development for scientific
computing. Computations of RHEED
intensities for a disordered surface.
Part I . . . . . . . . . . . . . . . . . 707--708
Andrzej Daniluk Model-Driven Development for scientific
computing. Computations of RHEED
intensities for a disordered surface.
Part II . . . . . . . . . . . . . . . . 709--710
Sean McConnell and
Stephan Fritzsche and
Andrey Surzhykov DIRAC: a new version of computer algebra
tools for studying the properties and
behavior of hydrogen-like ions . . . . . 711--713
Anonymous Editorial Board . . . . . . . . . . . . ??
B. F. McMillan and
S. Jolliet and
A. Bottino and
P. Angelino and
T. M. Tran and
L. Villard Rapid Fourier space solution of linear
partial integro-differential equations
in toroidal magnetic confinement
geometries . . . . . . . . . . . . . . . 715--719
Nobuaki Ohno and
Akira Kageyama Region-of-interest visualization by CAVE
VR system with automatic control of
level-of-detail . . . . . . . . . . . . 720--725
Wei Su and
Ping Qian and
Ying Liu and
Jiang Shen and
Nan-Xian Chen First principle calculations of
yttrium-doped palladium clusters . . . . 726--731
Grégory Geneste Free energies of ferroelectric crystals
from a microscopic approach . . . . . . 732--745
Björn Oetzel and
Friedhelm Bechstedt and
Karsten Hannewald Finite-size modelling of electrodes for
quantum transport calculations using
$k$-space ab initio techniques . . . . . 746--749
Joana G. Freire and
Owen J. Brison and
Jason A. C. Gallas Complete sets of initial vectors for
pattern growth with elementary cellular
automata . . . . . . . . . . . . . . . . 750--755
Mathias Wagner and
Andrea Walther and
Bernd-Jochen Schaefer On the efficient computation of
high-order derivatives for implicitly
defined functions . . . . . . . . . . . 756--764
Oliver Marquardt and
Sixten Boeck and
Christoph Freysoldt and
Tilmann Hickel and
Jörg Neugebauer Plane-wave implementation of the
real-space $ k \cdot p $ formalism and
continuum elasticity theory . . . . . . 765--771
Mehdi Dehghan and
Arezou Ghesmati Numerical simulation of two-dimensional
sine--Gordon solitons via a local weak
meshless technique based on the radial
point interpolation method (RPIM) . . . 772--786
Shaozhong Deng A robust numerical method for
self-polarization energy of spherical
quantum dots with finite confinement
barriers . . . . . . . . . . . . . . . . 787--799
Daniel Reith and
Peter Virnau Implementation and performance analysis
of bridging Monte Carlo moves for
off-lattice single chain polymers in
globular states . . . . . . . . . . . . 800--805
T. Kunze and
S. Gemming and
S. Numazawa and
M. Schreiber Low-temperature modeling for degenerate
and frustrated Heisenberg systems with
anisotropy . . . . . . . . . . . . . . . 806--812
M. F. Ciappina and
T. Kirchner and
M. Schulz Monte Carlo event generators in atomic
collisions: a new tool to tackle the
few-body dynamics . . . . . . . . . . . 813--820
Priya Sony and
Alok Shukla A general purpose Fortran 90 electronic
structure program for conjugated systems
using Pariser--Parr--Pople model . . . . 821--830
I. V. Grossu and
D. Felea and
C. Besliu and
Al. Jipa and
C. C. Bordeianu and
E. Stan and
T. Esanu A new version of Visual [Basic] tool for
estimating the fractal dimension of
images . . . . . . . . . . . . . . . . . 831--832
David Eriksson and
Johan Rathsman and
Oscar Stål 2HDMC --- two-Higgs-doublet model
calculator . . . . . . . . . . . . . . . 833--834
M. Bazzotti and
G. Carminati and
A. Margiotta and
M. Spurio An update of the generator of
atmospheric muons from parametric
formulas (MUPAGE) . . . . . . . . . . . 835--836
Anonymous Editorial Board . . . . . . . . . . . . ??
E. T. Meier and
V. S. Lukin and
U. Shumlak Spectral element spatial discretization
error in solving highly anisotropic heat
conduction equation . . . . . . . . . . 837--841
N. Mohankumar and
A. Natarajan On an interesting variant of the IMT
quadrature . . . . . . . . . . . . . . . 842--847
Bongsoo Jang Solving linear and nonlinear initial
value problems by the projected
differential transform method . . . . . 848--854
Ivan Duchemin and
François Gygi A scalable and accurate algorithm for
the computation of Hartree--Fock
exchange . . . . . . . . . . . . . . . . 855--860
Zhen F. Tian and
P. X. Yu High-order compact ADI (HOC--ADI) method
for solving unsteady $2$D Schrödinger
equation . . . . . . . . . . . . . . . . 861--868
Samuel F. Martins and
Ricardo A. Fonseca and
Luís O. Silva and
Wei Lu and
Warren B. Mori Numerical simulations of laser wakefield
accelerators in optimal Lorentz frames 869--875
S. M. Abrarov and
B. M. Quine and
R. K. Jagpal High-accuracy approximation of the
complex probability function by Fourier
expansion of exponential multiplier . . 876--882
H. Tadano and
Y. Kuramashi and
T. Sakurai Application of preconditioned block
BiCGGR to the Wilson--Dirac equation
with multiple right-hand sides in
lattice QCD . . . . . . . . . . . . . . 883--886
Marco Hülsmann and
Jadran Vrabec and
Astrid Maaß and
Dirk Reith Assessment of numerical optimization
algorithms for the development of
molecular models . . . . . . . . . . . . 887--905
J. Sainio CUDAEASY --- a GPU accelerated
cosmological lattice program . . . . . . 906--912
Monodeep Chakraborty and
Jürgen Spitaler and
Peter Puschnig and
Claudia Ambrosch-Draxl ATAT@WIEN2k: An interface for cluster
expansion based on the linearized
augmented planewave method . . . . . . . 913--920
V. M. Grichine Geant 4 hadron elastic diffuse model . . 921--927
P. Hadjidoukas and
C. Bousis and
D. Emfietzoglou Parallelization of a Monte Carlo
particle transport simulation code . . . 928--936
Jen-Hao Chen and
Jinn-Liang Liu A numerical method for exact
diagonalization of semiconductor quantum
dot model . . . . . . . . . . . . . . . 937--946
Yongxiang Zhao and
Aiguo Xiao Variational iteration method for
singular perturbation initial value
problems . . . . . . . . . . . . . . . . 947--956
Mehrdad Lakestani and
Mehdi Dehghan Numerical solution of Riccati equation
using the cubic B-spline scaling
functions and Chebyshev cardinal
functions . . . . . . . . . . . . . . . 957--966
M. E. Castro and
A. Niño and
C. Muñoz-Caro A metaheuristic approach to the optimal
definition of molecule-fixed axes in
rovibrational Hamiltonians . . . . . . . 967--977
Weiwei Cai and
Laura Kranendonk and
Tonghun Lee and
Lin Ma Characterization of composite
nanoparticles using an improved light
scattering program for coated spheres 978--984
David Eriksson and
Johan Rathsman and
Oscar Stål Erratum for ``2HDMC ---
two-Higgs-doublet model calculator''
[Comput. Phys. Commun. \bf 181 (2010)
189] . . . . . . . . . . . . . . . . . . 985--985
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous A generic data structure for integrated
modelling of tokamak physics and
subsystems . . . . . . . . . . . . . . . 987--998
Hyungson Ki Level set method for two-phase
incompressible flows under magnetic
fields . . . . . . . . . . . . . . . . . 999--1007
A. Glazov and
N. Raicevi\'c and
A. Zhokin Fast simulation of showers in the H1
calorimeter . . . . . . . . . . . . . . 1008--1012
Jonathan R. Clausen and
Daniel A. Reasor, Jr. and
Cyrus K. Aidun Parallel performance of a
lattice-Boltzmann/finite element
cellular blood flow solver on the IBM
Blue Gene/P architecture . . . . . . . . 1013--1020
Changbum Chun and
Rathinasamy Sakthivel Homotopy perturbation technique for
solving two-point boundary value
problems --- comparison with other
methods . . . . . . . . . . . . . . . . 1021--1024
Matthew R. Smith and
Fang-An Kuo and
Chih-Wei Hsieh and
Jen-Perng Yu and
Jong-Shinn Wu and
Alex Ferguson Rapid optimization of blast wave
mitigation strategies using Quiet Direct
Simulation and Genetic Algorithm . . . . 1025--1036
Seong-Deog Yang and
Hyun Geun Lee and
Junseok Kim A phase-field approach for minimizing
the area of triply periodic surfaces
with volume constraint . . . . . . . . . 1037--1046
Minghui Wang Algorithm Q--LSQR for the least squares
problem in quaternionic quantum theory 1047--1050
M. J. Rayson Rapid filtration algorithm to construct
a minimal basis on the fly from a
primitive Gaussian basis . . . . . . . . 1051--1056
C. Bekas and
A. Curioni Very large scale wavefunction
orthogonalization in Density Functional
Theory electronic structure calculations 1057--1068
S. Satake and
Y. Idomura and
H. Sugama and
T.-H. Watanabe Benchmark test of drift-kinetic and
gyrokinetic codes through neoclassical
transport simulations . . . . . . . . . 1069--1076
Florian Staub From superpotential to model files for
FeynArts and CalcHep/CompHep . . . . . . 1077--1086
Aleksey M. Serebrennikov A novel semi-analytic method for the
analysis of scattering by dielectric
objects immersed in uniform media . . . 1087--1095
K. Parand and
Mehdi Dehghan and
A. R. Rezaei and
S. M. Ghaderi An approximation algorithm for the
solution of the nonlinear Lane--Emden
type equations arising in astrophysics
using Hermite functions collocation
method . . . . . . . . . . . . . . . . . 1096--1108
Shamsul Qamar and
Sidrah Mudasser A kinetic flux-vector splitting method
for the shallow water
magnetohydrodynamics . . . . . . . . . . 1109--1122
A. R. Samana and
F. Krmpoti\'c and
C. A. Bertulani QRAP: a numerical code for projected
(Q)uasiparticle (RA)ndom (P)hase
approximation . . . . . . . . . . . . . 1123--1135
B. Gebremariam and
T. Duguet and
S. K. Bogner Symbolic integration of a product of two
spherical Bessel functions with an
additional exponential and polynomial
factor . . . . . . . . . . . . . . . . . 1136--1143
Chao-Hsi Chang and
Jian-Xiong Wang and
Xing-Gang Wu GENXICC2.0: An upgraded version of the
generator for hadronic production of
double heavy baryons $ \Xi c c $, $ \Xi
b c $, and $ \Xi b b $ . . . . . . . . . 1144--1149
Benzhuo Lu and
Xiaolin Cheng and
Jingfang Huang and
J. Andrew McCammon AFMPB: An adaptive fast multipole
Poisson--Boltzmann solver for
calculating electrostatics in
biomolecular systems . . . . . . . . . . 1150--1160
C. Carasco MCNP Output Data Analysis with ROOT
(MODAR) . . . . . . . . . . . . . . . . 1161--1166
B. Gebremariam and
S. K. Bogner and
T. Duguet Symbolic computation of the
Hartree--Fock energy from a chiral EFT
three-nucleon interaction at N$^2$ LO 1167--1177
Anonymous Editorial Board . . . . . . . . . . . . ??
C. Manuali and
A. Lagan\`a and
S. Rampino GriF: a Grid framework for a Web Service
approach to reactive scattering . . . . 1179--1185
A. V. Wolkov and
N. B. Petrovskaya Higher order discontinuous Galerkin
method for acoustic pulse problem . . . 1186--1194
Francisco de la Hoz and
Fernando Vadillo An integrating factor for nonlinear
Dirac equations . . . . . . . . . . . . 1195--1203
A. D'Angola and
G. Coppa and
M. Capitelli and
C. Gorse and
G. Colonna An efficient energy-conserving numerical
model for the electron energy
distribution function in the presence of
electron-electron collisions . . . . . . 1204--1211
I. M. Sobol' and
S. Kucherenko A new derivative based importance
criterion for groups of variables and
its link with the global sensitivity
indices . . . . . . . . . . . . . . . . 1212--1217
F. P. Fernandes and
F. W. S. Lima and
J. A. Plascak Blume--Capel model on directed and
undirected small-world Voronoi--Delaunay
random lattices . . . . . . . . . . . . 1218--1223
A. Golbabai and
M. M. Arabshahi A numerical method for
diffusion-convection equation using
high-order difference schemes . . . . . 1224--1230
Yaming Chen and
Huajun Zhu and
Songhe Song Multi-symplectic splitting method for
the coupled nonlinear Schrödinger
equation . . . . . . . . . . . . . . . . 1231--1241
Andrei Bourchtein and
Ludmila Bourchtein On iterated Crank--Nicolson methods for
hyperbolic and parabolic equations . . . 1242--1250
Th. Monovasilis and
Z. Kalogiratou and
T. E. Simos Symplectic partitioned Runge--Kutta
methods with minimal phase-lag . . . . . 1251--1254
Mehdi Dehghan and
Rezvan Salehi Solution of a nonlinear time-delay model
in biology via semi-analytical
approaches . . . . . . . . . . . . . . . 1255--1265
Reza Mokhtari and
Maryam Mohammadi Numerical solution of GRLW equation
using sinc-collocation method . . . . . 1266--1274
Omar Ramadan Addendum to: ``A FDTD analysis on
magnetized plasma of Epstein
distribution and reflection
calculation'' [Computer Physics
Communications \bf 180 (1) (2009)
55--60]: a short comment on the
equivalence of the shift-operator FDTD
method and the bilinear frequency
approximation technique for modeling
dispersive electromagnetic applications 1275--1276
A. Arbey and
F. Mahmoudi SuperIso Relic: a program for
calculating relic density and flavor
physics observables in supersymmetry . . 1277--1292
C. Studerus Reduze --- Feynman integral reduction in
C++ . . . . . . . . . . . . . . . . . . 1293--1300
T. Reiter Optimising code generation with haggies 1301--1331
A. I. Ogoyski and
S. Kawata and
P. H. Popov Code OK3 --- An upgraded version of OK2
with beam wobbling function . . . . . . 1332--1333
Anonymous Editorial Board . . . . . . . . . . . . ??
V. Ledoux and
M. Van Daele Solving Sturm--Liouville problems by
piecewise perturbation methods,
revisited . . . . . . . . . . . . . . . 1335--1345
Julián Rincón and
D. J. García and
K. Hallberg Improved parallelization techniques for
the density matrix renormalization group 1346--1351
Toshiaki Kaneko and
Takahiro Ueda A geometric method of sector
decomposition . . . . . . . . . . . . . 1352--1361
S. Stavroyiannis and
T. E. Simos A nonlinear explicit two-step fourth
algebraic order method of order infinity
for linear periodic initial value
problems . . . . . . . . . . . . . . . . 1362--1368
Linghua Kong and
Jingjing Zhang and
Ying Cao and
Yali Duan and
Hong Huang Semi-explicit symplectic partitioned
Runge--Kutta Fourier pseudo-spectral
scheme for Klein--Gordon--Schrödinger
equations . . . . . . . . . . . . . . . 1369--1377
Jacques C. R. Bloch and
Tobias Breu and
Andreas Frommer and
Simon Heybrock and
Katrin Schäfer and
Tilo Wettig Short-recurrence Krylov subspace methods
for the overlap Dirac operator at
nonzero chemical potential . . . . . . . 1378--1387
Rafael B. Frigori Universality in short-time critical
gluodynamics with heat-bath-inspired
algorithms . . . . . . . . . . . . . . . 1388--1391
Mehrdad Lakestani and
Mehdi Dehghan Collocation and finite
difference-collocation methods for the
solution of nonlinear Klein--Gordon
equation . . . . . . . . . . . . . . . . 1392--1401
Toni Giorgino and
M. J. Harvey and
Gianni de Fabritiis Distributed computing as a virtual
supercomputer: Tools to run and manage
large-scale BOINC simulations . . . . . 1402--1409
Mehdi Dehghan and
Arezou Ghesmati Application of the dual reciprocity
boundary integral equation technique to
solve the nonlinear Klein--Gordon
equation . . . . . . . . . . . . . . . . 1410--1418
M. Tentyukov and
J. A. M. Vermaseren The multithreaded version of FORM . . . 1419--1427
M. J. Pueschel and
T. Dannert and
F. Jenko On the role of numerical dissipation in
gyrokinetic Vlasov simulations of plasma
microturbulence . . . . . . . . . . . . 1428--1437
Yago Ascasibar Estimating multidimensional probability
fields using the Field Estimator for
Arbitrary Spaces (FiEstAS) with
applications to astrophysics . . . . . . 1438--1443
S. Bianchi and
R. Di Leonardo Real-time optical micro-manipulation
using optimized holograms generated on
the GPU . . . . . . . . . . . . . . . . 1444--1448
Christoph Junghans and
Simón Poblete A reference implementation of the
adaptive resolution scheme in ESPResSo 1449--1454
Masayuki Toyoda and
Taisuke Ozaki LIBERI: Library for numerical evaluation
of electron-repulsion integrals . . . . 1455--1463
I. V. Grossu and
C. Besliu and
Al. Jipa and
C. C. Bordeianu and
D. Felea and
E. Stan and
T. Esanu Code C# for chaos analysis of
relativistic many-body systems . . . . . 1464--1470
M. E. Castro and
A. Niño and
C. Muñoz-Caro Heuristic computation of the
rovibrational $G$ matrix in optimized
molecule-fixed axes. Gmat 2.1 . . . . . 1471--1475
Anonymous Editorial Board . . . . . . . . . . . . ??
M. Valiev and
E. J. Bylaska and
N. Govind and
K. Kowalski and
T. P. Straatsma and
H. J. J. Van Dam and
D. Wang and
J. Nieplocha and
E. Apra and
T. L. Windus and
W. A. de Jong NWChem: a comprehensive and scalable
open-source solution for large scale
molecular simulations . . . . . . . . . 1477--1489
M. Honda Simulation technique of free-boundary
equilibrium evolution in plasma ramp-up
phase . . . . . . . . . . . . . . . . . 1490--1500
C. A. Duarte Convergence and instability of iterative
procedures on the one-dimensional
Schrödinger--Poisson problem . . . . . . 1501--1509
Ian Mondragon-Shem and
Boris A. Rodríguez and
Francisco E. López Efficient calculation of Coulomb matrix
elements for bilayers of confined charge
carriers with arbitrary spatial
separation . . . . . . . . . . . . . . . 1510--1516
M. A. Clark and
R. Babich and
K. Barros and
R. C. Brower and
C. Rebbi Solving lattice QCD systems of equations
using mixed precision solvers on GPUs 1517--1528
Feng-Nan Hwang and
Shang-Rong Cai and
Yun-Long Shao and
Jong-Shinn Wu Parallel Newton--Krylov--Schwarz
algorithms for the three-dimensional
Poisson--Boltzmann equation in numerical
simulation of colloidal particle
interactions . . . . . . . . . . . . . . 1529--1537
Yonglei Fang and
Qinghong Li and
Xinyuan Wu Extended RKN methods with FSAL property
for oscillatory systems . . . . . . . . 1538--1548
Benjamin Block and
Peter Virnau and
Tobias Preis Multi-GPU accelerated multi-spin Monte
Carlo simulations of the $2$D Ising
model . . . . . . . . . . . . . . . . . 1549--1556
Robert Hammerling and
Othmar Koch and
Christa Simon and
Ewa B. Weinmüller Numerical solution of singular ODE
eigenvalue problems in electronic
structure computations . . . . . . . . . 1557--1561
R. G. M. van der Sman MRT Lattice Boltzmann schemes for
confined suspension flows . . . . . . . 1562--1569
Gunnar S. Bali and
Sara Collins and
Andreas Schäfer Effective noise reduction techniques for
disconnected loops in Lattice QCD . . . 1570--1583
G. M. Doctors and
M. D. Mazzeo and
P. V. Coveney A computationally efficient method for
simulating fluid flow in elastic pipes
in three dimensions . . . . . . . . . . 1584--1592
S. Ask and
I. V. Akin and
L. Benucci and
A. De Roeck and
M. Goebel and
J. Haller Real emission and virtual exchange of
gravitons and unparticles in Pythia8 . . 1593--1604
Gaurav Khanna and
Justin McKennon Numerical modeling of gravitational wave
sources accelerated by OpenCL . . . . . 1605--1611
Anonymous A proposal for a standard interface
between Monte Carlo tools and one-loop
programs . . . . . . . . . . . . . . . . 1612--1622
Andriy O. Lyakhov and
Artem R. Oganov and
Mario Valle How to predict very large and complex
crystal structures . . . . . . . . . . . 1623--1632
Bernie D. Shizgal and
Raouf Dridi Maple code for the calculation of the
matrix elements of the Boltzmann
collision operators for mixtures . . . . 1633--1640
B. G. Carlsson and
J. Dobaczewski and
J. Toivanen and
P. Veselý Solution of self-consistent equations
for the N$^3$ LO nuclear energy density
functional in spherical symmetry. The
program hosphe (v1.02) . . . . . . . . . 1641--1657
Xinyuan Wu Erratum to ``Extended RKN-type methods
for numerical integration of perturbed
oscillators'' [Computer Physics
Communications \bf 180 (2009)
1777--1794] . . . . . . . . . . . . . . 1658--1658
S. Nath Erratum to ``TERS v2.0: An improved
version of TERS'' [Comput. Phys. Commun.
\bf 180 (2009) 2392] . . . . . . . . . . 1659--1659
Anonymous Editorial Board . . . . . . . . . . . . ??
J. A. Breslau and
G. Y. Fu Implementation of an implicit shear
Alfvén operator in the M3D code . . . . . 1661--1670
Pablo M. Dupuy and
H. F. Svendsen and
Luciano E. Patruno and
Hugo A. Jakobsen Finite-difference stable stencils based
on least-square quadric fitting . . . . 1671--1681
Wan-Qing Li and
Tang Ying and
Wan Jian and
Dong-Jin Yu Comparison research on the neighbor list
algorithms: Verlet table and linked-cell 1682--1686
Larry A. Viehland and
Yongbin Chang Transport cross sections for collisions
between particles . . . . . . . . . . . 1687--1696
Jie Cheng and
Yanqing Hu and
Zengru Di and
Ying Fan Local adaptive mechanism and hierarchic
social entropy in opinion formation on
complex networks . . . . . . . . . . . . 1697--1701
Ma\lgorzata J. Krawczyk Application of the differential
equations method for identifying
communities in sparse networks . . . . . 1702--1706
R. G. Edgar and
M. A. Clark and
K. Dale and
D. A. Mitchell and
S. M. Ord and
R. B. Wayth and
H. Pfister and
L. J. Greenhill Enabling a high throughput real time
data pipeline for a large radio
telescope array with GPUs . . . . . . . 1707--1714
Jakub T. Mo\'scicki and
Maciej Wo\'s and
Massimo Lamanna and
Philippe de Forcrand and
Owe Philipsen Lattice QCD thermodynamics on the Grid 1715--1726
C.-S. Chien and
S.-L. Chang and
Biao Wu Two-stage continuation algorithms for
Bloch waves of Bose--Einstein
condensates in optical lattices . . . . 1727--1737
L. Gr. Ixaru New numerical method for the eigenvalue
problem of the $2$D Schrödinger equation 1738--1742
A. V. Snytnikov and
V. A. Vshivkov and
W. J. Goedheer Adaptive mass alteration to model
ion-ion recombination in a
Particle-in-Cell simulation of silane
radio-frequency discharges . . . . . . . 1743--1749
Michael Watson and
Ken-Ichi Nishikawa A method for incorporating the
Kerr--Schild metric in electromagnetic
particle-in-cell code . . . . . . . . . 1750--1757
S. Belov and
L. Dudko and
D. Kekelidze and
A. Sherstnev HepML, an XML-based format for
describing simulated data in high energy
physics . . . . . . . . . . . . . . . . 1758--1768
A. V. Nesterenko and
C. Simolo QCDMAPT: Program package for Analytic
approach to QCD . . . . . . . . . . . . 1769--1775
Pietro Asinari Nonlinear Boltzmann equation for the
homogeneous isotropic case: Minimal
deterministic Matlab program . . . . . . 1776--1788
Wafaa M. Fawzy A code for analysis of the fine
structure in near-rigid weakly-bonded
open-shell complexes that consist of a
diatomic radical in a $^3 \Sigma $ state
and a closed-shell molecule . . . . . . 1789--1801
K. Hasegawa and
S. Moch and
P. Uwer AutoDipole --- Automated generation of
dipole subtraction terms . . . . . . . . 1802--1817
S. Stamatiadis and
S. C. Farantos auto\_deriv: Tool for automatic
differentiation of a Fortran code . . . 1818--1819
Anonymous Editorial Board . . . . . . . . . . . . ??
James Tickner Monte Carlo simulation of X-ray and
gamma-ray photon transport on a
graphics-processing unit . . . . . . . . 1821--1832
Higinio Ramos and
Cesáreo Lorenzo Review of explicit Falkner methods and
its modifications for solving special
second-order I.V.P.s . . . . . . . . . . 1833--1841
J. E. Macías-Díaz On the simulation of the energy
transmission in the forbidden band-gap
of a spatially discrete double
sine--Gordon system . . . . . . . . . . 1842--1849
Xiaofan Li and
Tong Zhu and
Meigen Zhang and
Guihua Long Seismic scalar wave equation with
variable coefficients modeling by a new
convolutional differentiator . . . . . . 1850--1858
N. Mohankumar and
Tucker Carrington, Jr. A new approach for determining the time
step when propagating with the Lanczos
algorithm . . . . . . . . . . . . . . . 1859--1861
Marc Torrent and
N. A. W. Holzwarth and
François Jollet and
David Harris and
Nicholas Lepley and
Xiao Xu Electronic structure packages: Two
implementations of the projector
augmented wave (PAW) formalism . . . . . 1862--1867
R. Jalilian Non-polynomial spline method for solving
Bratu's problem . . . . . . . . . . . . 1868--1872
Xinyuan Wu and
Xiong You and
Wei Shi and
Bin Wang ERKN integrators for systems of
oscillatory second-order differential
equations . . . . . . . . . . . . . . . 1873--1887
Jan Kunes and
Ryotaro Arita and
Philipp Wissgott and
Alessandro Toschi and
Hiroaki Ikeda and
Karsten Held Wien2wannier: From linearized augmented
plane waves to maximally localized
Wannier functions . . . . . . . . . . . 1888--1895
Gary A. Huber and
J. Andrew McCammon Browndye: a software package for
Brownian dynamics . . . . . . . . . . . 1896--1905
Ajay Rawat and
N. Mohankumar Milne, a routine for the numerical
solution of Milne's problem . . . . . . 1906--1910
Natan Osterman TweezPal --- Optical tweezers analysis
and calibration software . . . . . . . . 1911--1916
Douglas M. Gingrich Monte Carlo event generator for black
hole production and decay in
proton-proton collisions --- QBH version
1.02 . . . . . . . . . . . . . . . . . . 1917--1924
Jean-Luc Lamotte and
Jean-Marie Chesneaux and
Fabienne Jézéquel CADNA\_C: a version of CADNA for use
with C or C++ programs . . . . . . . . . 1925--1926
Fabienne Jézéquel and
Jean-Marie Chesneaux and
Jean-Luc Lamotte A new version of the CADNA library for
estimating round-off error propagation
in Fortran programs . . . . . . . . . . 1927--1928
Anonymous Editorial Board . . . . . . . . . . . . ??
E. Ramos and
J. E. Roman and
S. Cardona-Serra and
J. M. Clemente-Juan Parallel implementation of the MAGPACK
package for the analysis of
high-nuclearity spin clusters . . . . . 1929--1940
R. Pittau Testing and improving the numerical
accuracy of the NLO predictions . . . . 1941--1946
Akbar Mohebbi and
Mehdi Dehghan High-order scheme for determination of a
control parameter in an inverse problem
from the over-specified data . . . . . . 1947--1954
Xinyuan Wu and
Bin Wang Multidimensional adapted
Runge--Kutta--Nyström methods for
oscillatory systems . . . . . . . . . . 1955--1962
J. Francés and
C. Neipp and
M. Pérez-Molina and
A. Beléndez Rigorous interference and diffraction
analysis of diffractive optic elements
using the finite-difference time-domain
method . . . . . . . . . . . . . . . . . 1963--1973
Weiwei Cai and
Lin Ma Comparison of approaches based on
optimization and algebraic iteration for
binary tomography . . . . . . . . . . . 1974--1981
M. Carrettoni and
O. Cremonesi Generation of noise time series with
arbitrary power spectrum . . . . . . . . 1982--1985
Nobuyuki Masuda and
Takashige Sugie and
Tomoyoshi Ito and
Shinjiro Tanaka and
Yu Hamada and
Shin-ichi Satake and
Tomoaki Kunugi and
Kazuho Sato Special purpose computer system with
highly parallel pipelines for flow
visualization using holography
technology . . . . . . . . . . . . . . . 1986--1989
Ali Shokri and
Mehdi Dehghan A Not-a-Knot meshless method using
radial basis functions and
predictor-corrector scheme to the
numerical solution of improved
Boussinesq equation . . . . . . . . . . 1990--2000
J. Ambia-Garrido and
Arnold Vainrub and
B. Montgomery Pettitt A model for structure and thermodynamics
of ssDNA and dsDNA near a surface: a
coarse grained approach . . . . . . . . 2001--2007
Emily M. Ryan and
Alexandre M. Tartakovsky and
Cristina Amon A novel method for modeling Neumann and
Robin boundary conditions in smoothed
particle hydrodynamics . . . . . . . . . 2008--2023
Ji Qiang and
Xiaoye Li Particle-field decomposition and domain
decomposition in parallel
particle-in-cell beam dynamics
simulation . . . . . . . . . . . . . . . 2024--2034
Magdalena Mierzwiczak and
Jan Adam Kolodziej Application of the method of fundamental
solutions and radial basis functions for
inverse transient heat source problem 2035--2043
M. Calvo and
J. M. Franco and
J. I. Montijano and
L. Rández Symmetric and symplectic exponentially
fitted Runge--Kutta methods of high
order . . . . . . . . . . . . . . . . . 2044--2056
Tian Qiu and
Tarik Hadzibeganovic and
Guang Chen and
Li-Xin Zhong and
Xiao-Run Wu Cooperation in the snowdrift game on
directed small-world networks under
self-questioning and noisy conditions 2057--2062
Spencer E. Olson and
Andrew J. Christlieb and
Fredrik K. Fatemi PID feedback for load-balanced parallel
gridless DSMC . . . . . . . . . . . . . 2063--2071
Edoardo Patelli and
Helmut J. Pradlwarter and
Gerhart I. Schuëller Global sensitivity of structural
variability by random sampling . . . . . 2072--2081
William J. Menz and
Matthew J. Penna and
Mark J. Biggs TNAMD: Implementation of TIGER2 in NAMD 2082--2085
Min Hyung Cho and
Wei Cai A Wideband Fast Multipole Method for the
two-dimensional complex Helmholtz
equation . . . . . . . . . . . . . . . . 2086--2090
Barry I. Schneider and
Javier Segura and
Amparo Gil and
Xiaoxu Guan and
Klaus Bartschat A new Fortran 90 program to compute
regular and irregular associated
Legendre functions . . . . . . . . . . . 2091--2097
Liang-You Peng and
Qihuang Gong An accurate Fortran code for computing
hydrogenic continuum wave functions at a
wide range of parameters . . . . . . . . 2098--2101
Arnaud Marmier and
Zoe A. D. Lethbridge and
Richard I. Walton and
Christopher W. Smith and
Stephen C. Parker and
Kenneth E. Evans ElAM: a computer program for the
analysis and representation of
anisotropic elastic properties . . . . . 2102--2115
Ján Busa and
Shura Hayryan and
Chin-Kun Hu and
Jaroslav Skrivánek and
Ming-Chya Wu CAVE: a package for detection and
quantitative analysis of internal
cavities in a system of overlapping
balls: Application to proteins . . . . . 2116--2125
Sergio Davis and
Claudia Loyola and
Felipe González and
Joaquín Peralta Las Palmeras Molecular Dynamics: a
flexible and modular molecular dynamics
code . . . . . . . . . . . . . . . . . . 2126--2139
Jesse Noffsinger and
Feliciano Giustino and
Brad D. Malone and
Cheol-Hwan Park and
Steven G. Louie and
Marvin L. Cohen EPW: a program for calculating the
electron-phonon coupling using maximally
localized Wannier functions . . . . . . 2140--2148
Martin Kröger and
Markus Hütter Automated symbolic calculations in
nonequilibrium thermodynamics . . . . . 2149--2157
G. von Winckel and
A. Borzi` QUCON: a fast Krylov--Newton code for
dipole quantum control problems . . . . 2158--2163
Scott Rostrup and
Hans De Sterck Parallel hyperbolic PDE simulation on
clusters: Cell versus GPU . . . . . . . 2164--2179
J. Rosiek and
P. H. Chankowski and
A. Dedes and
S. Jäger and
P. Tanedo SUSY\_FLAVOR: a computational tool for
FCNC and CP-violating processes in the
MSSM . . . . . . . . . . . . . . . . . . 2180--2205
Bo Zhang and
Jingfang Huang and
Nikos P. Pitsianis and
Xiaobai Sun Revision of FMM--Yukawa: An adaptive
fast multipole method for screened
Coulomb interactions . . . . . . . . . . 2206--2207
Linda Hung and
Chen Huang and
Ilgyou Shin and
Gregory S. Ho and
Vincent L. Lign\`eres and
Emily A. Carter Introducing PROFESS 2.0: a parallelized,
fully linear scaling program for
orbital-free density functional theory
calculations . . . . . . . . . . . . . . 2208--2209
C. Carasco MCNP output data analysis with ROOT
(MODAR) . . . . . . . . . . . . . . . . 2210--2211
Peter Koval and
J. D. Talman Update of spherical Bessel transform:
FFTW and OpenMP . . . . . . . . . . . . 2212--2213
Anonymous Editorial Board . . . . . . . . . . . . ??
James J. Y. Hsu Preface . . . . . . . . . . . . . . . . 1--1
Kai Schneider and
Salah Neffaa and
Wouter J. T. Bos A pseudo-spectral method with volume
penalisation for magnetohydrodynamic
turbulence in confined domains . . . . . 2--7
Vítor Duarte Teodoro and
Rui Gomes Neves Mathematical modelling in science and
mathematics education . . . . . . . . . 8--10
A. S. Barnard Useful equations for modeling the
relative stability of common
nanoparticle morphologies . . . . . . . 11--13
Tak-San Ho and
Herschel Rabitz and
Shih-I Chu A general formulation of monotonically
convergent algorithms in the control of
quantum dynamics beyond the linear
dipole interaction . . . . . . . . . . . 14--17
Dmitry A. Telnov and
Shih-I Chu Time-dependent generalized
pseudospectral method for accurate
treatment of multiphoton processes of
diatomic molecules in intense laser
fields . . . . . . . . . . . . . . . . . 18--20
Xiao-Min Tong and
Nobuyuki Toshima Time-dependent method in the laser-atom
interactions . . . . . . . . . . . . . . 21--23
Huey-Wen Lin and
Saul D. Cohen and
Liuming Liu and
Nilmani Mathur and
Kostas Orginos and
Andre Walker-Loud Heavy-baryon spectroscopy from lattice
QCD . . . . . . . . . . . . . . . . . . 24--26
A. P. Young and
S. Knysh and
V. N. Smelyanskiy The complexity of the Quantum Adiabatic
Algorithm . . . . . . . . . . . . . . . 27--28
Hendrick W. de Haan and
Michel G. Gauthier and
Mykyta V. Chubynsky and
Gary W. Slater The importance of introducing a waiting
time for Lattice Monte Carlo simulations
of a polymer translocation process . . . 29--32
Stefan Kesselheim and
Marcello Sega and
Christian Holm Applying ICC* to DNA translocation:
Effect of dielectric boundaries . . . . 33--35
Chi-Tin Shih and
Yun-Yin Cheng and
Stephen A. Wells and
Ching-Ling Hsu and
Rudolf A. Römer Charge transport in cancer-related genes
and early carcinogenesis . . . . . . . . 36--38
Chih-Kai Yang Exploring the interaction between the
boron nitride nanotube and biological
molecules . . . . . . . . . . . . . . . 39--42
I. V. Solovyev Realistic modeling of complex oxide
materials . . . . . . . . . . . . . . . 43--45
Vidar Gudmundsson and
Chi-Shung Tang and
Cosmin Mihai Gainar and
Valeriu Moldoveanu and
Andrei Manolescu Time-dependent magnetotransport in
semiconductor nanostructures via the
generalized master equation . . . . . . 46--48
K. Hoshino and
T. Yoshikawa and
S. Munejiri Pressure-induced structural change from
low-density to high-density amorphous
ice by molecular-dynamics simulations 49--51
Tianxing Ma and
Feiming Hu and
Zhongbing Huang and
Hai-Qing Lin Magnetic correlation in the Hubbard
model on a honeycomb lattice . . . . . . 52--54
Dingping Li and
B. Rosenstein and
Shou Chen and
H. H. Lin and
D. Berco Glass transition and the replica
symmetry breaking in vortex matter: MC
study . . . . . . . . . . . . . . . . . 55--57
Shuji Munejiri and
Fuyuki Shimojo and
Kozo Hoshino Real-space investigation of a transverse
wave in a liquid system generated by a
molecular-dynamics simulation . . . . . 58--61
K. H. Tsai and
Ten-Ming Wu Entropy of a model for liquid Ga:
Contribution due to Friedel oscillations 62--64
Chi-Shung Tang and
Kristinn Torfason and
Vidar Gudmundsson Magnetotransport in a time-modulated
double quantum point contact system . . 65--67
C. H. Lee and
S. C. Chen and
C. K. Yang and
W. S. Su and
M. F. Lin Low-energy electronic structures of
nanotube-nanoribbon hybrid systems . . . 68--70
Chia-Hei Yang and
Ching-Ling Hsu and
Nan-Yow Chen and
Chi-Tin Shih Temporal dynamics of site percolation in
nanoparticle assemblies . . . . . . . . 71--73
Feiming Hu and
Tianxing Ma and
Hai-Qing Lin Numerical study of geometrical
frustration: From square to triangular
lattices . . . . . . . . . . . . . . . . 74--76
Jen-Hsien Wong and
Bi-Ru Wu and
Ming-Fa Lin Electronic properties of rhombohedral
graphite . . . . . . . . . . . . . . . . 77--80
R. F. Hung and
D. Berco and
I. Ya. Shapiro and
B. Shapiro and
B. Rosenstein Electrodynamics of type-II
superconductor with periodic pinning
array . . . . . . . . . . . . . . . . . 81--83
J. C. Tung and
G. Y. Guo An ab initio study of the magnetic and
electronic properties of Fe, Co, and Ni
nanowires on Cu(001) surface . . . . . . 84--86
Shoichi Sakamoto and
Hiroyoshi Tsuyuki and
Mitsuyoshi Tomiya Stochastic mechanics of electron
transfer in graphene . . . . . . . . . . 87--89
Naomi Hirayama and
Akira Endo and
Kazuhiro Fujita and
Yasuhiro Hasegawa and
Naomichi Hatano and
Hiroaki Nakamura and
Ryoen Shirasaki Temperature distribution in nano-devices
under a strong magnetic field . . . . . 90--92
Tay-Rong Chang and
Horng-Tay Jeng and
Chen-Shiung Hsue Electronic structures of
quasi-one-dimensional ferrimagnetic
insulator Ca$_3$Co$_2$O$_6$ . . . . . . 93--95
Yiming Li and
Hui-Wen Cheng and
Ming-Hung Han Quantum hydrodynamic simulation of
discrete-dopant fluctuated physical
quantities in nanoscale FinFET . . . . . 96--98
W. S. Su and
B. R. Wu and
T. C. Leung A first-principles study on the
electromechanical effect of graphene
nanoribbon . . . . . . . . . . . . . . . 99--102
Yoshiyuki Egami and
Keita Yamada First-principles study on
quantum-transport properties of single
molecule depending on adsorption
conditions . . . . . . . . . . . . . . . 103--105
C.-C. Chen and
B. Moritz and
C. J. Jia and
S. Johnston and
A. P. Sorini and
L.-Q. Lee and
K. Ko and
T. P. Devereaux Numerical studies of photon-based
spectroscopies on high-$ T_c $
superconductors . . . . . . . . . . . . 106--108
B. Moritz and
T. P. Devereaux and
J. K. Freericks Temporal response of nonequilibrium
correlated electrons . . . . . . . . . . 109--111
H. C. Kao and
M. Lewkowicz and
Y. Korniyenko and
B. Rosenstein Dynamical approach to ballistic
transport in graphene . . . . . . . . . 112--114
N. Blümer and
E. V. Gorelik Quantum Monte Carlo simulations of
antiferromagnetism in ultracold fermions
on optical lattices within real-space
dynamical mean-field theory . . . . . . 115--118
Sabyasachi Kar and
Y. K. Ho Resonance states of Ps$^-$ using
correlated wave functions . . . . . . . 119--121
Arijit Ghoshal and
Y. K. Ho Doubly excited resonance states of
two-electron systems in exponential
cosine-screened Coulomb potentials . . . 122--124
C. Y. Lin and
Y. K. Ho The photoionization of excited hydrogen
atom in plasmas . . . . . . . . . . . . 125--129
S. Paul and
Y. K. Ho Solution of the generalized exponential
cosine screened Coulomb potential . . . 130--133
M. Chane-Yook and
J. Dubau Update of UCL computer codes for the
calculation of fine-structure
electron-atom collision cross-section 134--135
Ju-Tang Hsiao and
Keh-Ning Huang Applications of the relativistic
equation of motion to photoionization of
Mg-like ions . . . . . . . . . . . . . . 136--139
Y.-M. Lee and
T.-F. Jiang and
Z.-Y. Su and
J.-S. Wu Three-dimensional simulation of the
femto-second pulsed laser interacting
with a nitrogen molecule . . . . . . . . 140--142
M.-C. Wu and
W.-C. Liu Non-perturbative time-dependent
numerical simulation for
electromagnetically induced transparency
and slow light in three-level $ \Lambda
$-type atoms . . . . . . . . . . . . . . 143--145
Ying-Jun Jin and
Xiao-Min Tong and
Nobuyuki Toshima Ionization of hydrogen molecular ions in
an intense laser field via a resonant
state . . . . . . . . . . . . . . . . . 146--148
Alexei Deinega and
Ilya Valuev Long-time behavior of PML absorbing
boundaries for layered periodic
structures . . . . . . . . . . . . . . . 149--151
S. W. Chau and
S. Y. Lu and
P. J. Wang Modeling of axis-symmetric steam plasma
flow in a non-transferred torch . . . . 152--154
Jang-Yu Hsu Relativistic theory of mode conversion
at plasma frequency --- the finite
difference time domain simulation . . . 155--157
Y. Nishimura A perturbation method for guiding center
orbit following calculations in the
presence of Coulomb collisions . . . . . 158--160
Chieh-Tsan Hung and
Yuan-Ming Chiu and
Feng-Nan Hwang and
Jong-Shinn Wu Development of a parallel implicit
solver of fluid modeling equations for
gas discharges . . . . . . . . . . . . . 161--163
K.-W. Cheng and
C.-T. Hung and
M.-H. Chiang and
F.-N. Hwang and
J.-S. Wu One-dimensional simulation of nitrogen
dielectric barrier discharge driven by a
quasi-pulsed power source and its
comparison with experiments . . . . . . 164--166
Y.-M. Chiu and
C.-T. Hung and
F.-N. Hwang and
M.-H. Chiang and
J.-S. Wu and
S.-H. Chen Effect of plasma chemistry on the
simulation of helium
atmospheric-pressure plasmas . . . . . . 167--169
Matthew R. Smith and
Chieh-Tsan Hung and
Kun-Mo Lin and
Jong-Shinn Wu and
Jen-Perng Yu Development of a semi-implicit fluid
modeling code using finite-volume method
based on Cartesian grids . . . . . . . . 170--172
Xuefei Yuan and
Stephen C. Jardin and
David E. Keyes Moving grids for magnetic reconnection
via Newton--Krylov methods . . . . . . . 173--176
Ying-Yi Lo and
Chung-Ming Ko and
Chih-Yueh Wang $3$D Magneto-hydrodynamic simulations of
Parker instability with cosmic rays . . 177--179
Alexei Y. Pankin and
Alex Pletzer and
Srinath Vadlamani and
John R. Cary and
Ammar Hakim and
Scott E. Kruger and
Mahmood Miah and
Thomas D. Rognlien and
Svetlana Shasharina and
Glenn Bateman and
Arnold H. Kritz and
Tariq Rafiq and
FACETS team Simulation of anomalous transport in
tokamaks using the FACETS code . . . . . 180--184
Jiann-wien Hsu and
Ding-wei Huang Dynamics of citation distribution . . . 185--187
Gabriel Villalobos and
Dorian L. Linero and
José D. Muñoz A statistical model of fracture for a
$2$D hexagonal mesh: The Cell Network
Model of Fracture for the bamboo \em
Guadua angustifolia . . . . . . . . . . 188--191
Susumu Fujiwara and
Daiki Funaoka and
Takashi Itoh and
Masato Hashimoto Molecular dynamics simulation for phase
behavior of amphiphilic solution . . . . 192--194
Chi-Tin Shih and
Hsuan-Wen Lin and
Ann-Shyn Chiang Statistical analysis and modeling of the
temperature-dependent sleep behavior of
drosophila . . . . . . . . . . . . . . . 195--197
J. L. Huang and
H. J. Chen and
H. C. Tseng The flow of a reversible ratchet . . . . 198--200
Hao-Yun Wu and
Chung-I Chou and
Jie-Jun Tseng A simple marriage model for the
power-law behaviour in the frequency
distributions of family names . . . . . 201--204
Yu-Cih Peng and
Chung-I Chou Simulation of pedestrian flow through a
``T'' intersection: a multi-floor field
cellular automata approach . . . . . . . 205--208
Chung-I Chou A Knowledge-based Evolution Algorithm
approach to political districting
problem . . . . . . . . . . . . . . . . 209--212
B. J. Huang and
Ten-Ming Wu Numerical studies for
localization-delocalization transition
in vibrational spectra . . . . . . . . . 213--215
Moon-Yong Cha and
Jae Woo Lee and
Deok-Sun Lee and
Doo Hwan Kim Wealth dynamics in world trade . . . . . 216--218
Jaewon Choi and
Gyuchang Lim and
Soo Yong Kim and
Kyungsik Kim Information of group-correlations in
Korean financial market . . . . . . . . 219--222
Nen Saito and
Yukito Iba Probability of graphs with large
spectral gap by multicanonical Monte
Carlo . . . . . . . . . . . . . . . . . 223--225
Chien-Fu Chen and
An-Chung Cheng and
Yi-Duen Wang and
Chai-Yu Lin Universal scaling functions of a
dissipative Manna model . . . . . . . . 226--228
M. Hasegawa Positive role of glassy dynamics in
finite-time optimization by threshold
algorithms . . . . . . . . . . . . . . . 229--231
Chih-Hsien Huang and
Jing-Nuo Wu and
Szu-Cheng Cheng and
Wen-Feng Hsieh The evolution of solitons in coupled
resonator optical waveguides and
photonic-crystal waveguides . . . . . . 232--236
Shin-ichi Tadaki Effects of fast noises on long-range
correlations . . . . . . . . . . . . . . 237--239
Naohito Urakami and
Junko Imada and
Takashi Yamamoto Simulation of chain length recognition
observed in formation of inclusion
complex . . . . . . . . . . . . . . . . 240--242
Doo Hwan Kim and
Moon-Yong Cha and
Jae Woo Lee The persistence probability and the
price-price correlation functions in the
Korean stock market . . . . . . . . . . 243--244
Mitsuyoshi Tomiya and
Hiroyoshi Tsuyuki and
Shoichi Sakamoto Quantum fidelity and dynamical scar
states on chaotic billiard system . . . 245--248
Yao-Chen Hung and
Chin-Kun Hu Constructive role of noise in p53
regulatory network . . . . . . . . . . . 249--250
Akimasa Kitajima and
Yukito Iba Multicanonical sampling of rare
trajectories in chaotic dynamical
systems . . . . . . . . . . . . . . . . 251--253
Ke-Jung Chen and
Alexander Heger and
Ann S. Almgren Multidimensional simulations of
pair-instability supernovae . . . . . . 254--256
Masayuki Ohzeki and
Hidetoshi Nishimori Quantum annealing with Jarzynski
equality . . . . . . . . . . . . . . . . 257--259
Hui-Wen Cheng and
Yiming Li and
Jung-Yen Yang Investigation of Raman enhancement in
hydrothermally roughened SERS-active
substrates . . . . . . . . . . . . . . . 260--262
Hongsuk Yi Performance evaluation of GAIA
supercomputer using NPB multi-zone
benchmarks . . . . . . . . . . . . . . . 263--265
Chao-Tung Yang and
Chih-Lin Huang and
Cheng-Fang Lin Hybrid CUDA, OpenMP, and MPI parallel
programming on multicore GPU clusters 266--269
Anonymous The advanced data searching system with
AMGA at the Belle II experiment . . . . 270--273
Shinichi Miura A variational path integral molecular
dynamics study of a solid helium-4 . . . 274--276
Soonwook Hwang and
Hangi Kim and
Seyong Kim Large-scale deployment of two-color QCD
simulations on the grid using Ganga . . 277--279
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iv--vi
Anonymous Editorial Board . . . . . . . . . . . . ??
Laura E. Walizer and
John F. Peters A bounding box search algorithm for DEM
simulation . . . . . . . . . . . . . . . 281--288
B. M. Stupovski and
J. V. Crnjanski and
D. M. Gvozdi\'c Application of coordinate transformation
and finite differences method in
numerical modeling of quantum dash band
structure . . . . . . . . . . . . . . . 289--298
Remi Baron and
Philippe Boucaud and
Jaume Carbonell and
Vincent Drach and
Federico Farchioni and
Gregorio Herdoiza and
Karl Jansen and
Chris Michael and
Istvan Montvay and
Elisabetta Pallante and
Olivier P\`ene and
Siebren Reker and
Carsten Urbach and
Marc Wagner and
Urs Wenger Computing K and D meson masses with $ N
f = 2 + 1 + 1 $ twisted mass lattice QCD 299--316
Frédéric Wrobel and
Frédéric Saigné MC--ORACLE: a tool for predicting Soft
Error Rate . . . . . . . . . . . . . . . 317--321
R. D'Ambrosio and
L. Gr. Ixaru and
B. Paternoster Construction of the ef-based
Runge--Kutta methods revisited . . . . . 322--329
Gian Luca Delzanno and
John M. Finn The fluid dynamic approach to
equidistribution methods for grid
adaptation . . . . . . . . . . . . . . . 330--346
G. Zuccaro and
G. Lapenta and
F. Ferrero and
G. Maizza Multiphase and multiphysics particle in
cell simulation of soot deposition
inside a diesel particulate filter
single channel . . . . . . . . . . . . . 347--359
Min Hyung Cho and
Haiyu Zheng and
Yuehui Lu and
YoungPak Lee and
Wei Cai Improved rigorous coupled-wave analysis
for polar magnetic gratings . . . . . . 360--365
Moussa Smadi and
Derradji Bahloul A compact split step Padé scheme for
higher-order nonlinear Schrödinger
equation (HNLS) with power law
nonlinearity and fourth order dispersion 366--371
David C. Lonie and
Eva Zurek XtalOpt: An open-source evolutionary
algorithm for crystal structure
prediction . . . . . . . . . . . . . . . 372--387
Paolo Barletta COOL: a code for dynamic Monte Carlo
simulation of molecular dynamics . . . . 388--399
Mohammad A. Charsooghi and
Ehsan A. Akhlaghi and
Sharareh Tavaddod and
H. R. Khalesifard A Matlab program to calculate
translational and rotational diffusion
coefficients of a single particle . . . 400--408
Joel Ekstrand Lambda: a Mathematica package for
operator product expansions in vertex
algebras . . . . . . . . . . . . . . . . 409--418
A. E. Kramida The program LOPT for least-squares
optimization of energy levels . . . . . 419--434
R. Kleiss and
G. van den Oord CAMORRA: a C++ library for recursive
computation of particle scattering
amplitudes . . . . . . . . . . . . . . . 435--447
D. Sokolovski and
E. Akhmatskaya and
S. K. Sen Extracting $S$-matrix poles for
resonances from numerical scattering
data: Type-II Padé reconstruction . . . . 448--466
Tarcísio M. Rocha Filho and
Annibal Figueiredo [SADE]: a Maple package for the symmetry
analysis of differential equations . . . 467--476
Boaz Keren-Zur HidSecSOFTSUSY: Incorporating effects
from hidden sectors in the numerical
computation of the MSSM spectrum . . . . 477--484
Fabian Czerwinski and
Lene B. Oddershede TimeSeriesStreaming.vi: LabVIEW program
for reliable data streaming of large
analog time series . . . . . . . . . . . 485--489
M. Botje QCDNUM: Fast QCD evolution and
convolution . . . . . . . . . . . . . . 490--532
J. M. Badia and
J. L. Movilla and
J. I. Climente and
M. Castillo and
M. Marqués and
R. Mayo and
E. S. Quintana-Ortí and
J. Planelles Large-scale linear system solver using
secondary storage: Self-energy in hybrid
nanostructures . . . . . . . . . . . . . 533--539
Ling Ti Kong and
Colin Denniston and
Martin H. Müser An improved version of the Green's
function molecular dynamics method . . . 540--541
G. Opletal and
T. C. Petersen and
B. O'Malley and
I. K. Snook and
D. G. McCulloch and
I. Yarovsky HRMC\_1.1: Hybrid Reverse Monte Carlo
method with silicon and carbon
potentials . . . . . . . . . . . . . . . 542--542
Anonymous Editorial Board . . . . . . . . . . . . ??
S. Boeck and
C. Freysoldt and
A. Dick and
L. Ismer and
J. Neugebauer The object-oriented DFT program library
S/PHI/nX . . . . . . . . . . . . . . . . 543--554
Rodrigo Coura Torres and
Andre Rabello dos Anjos and
José Manoel de Seixas and
Igor Soloviev Automatizing the online filter test
management for a general-purpose
particle detector . . . . . . . . . . . 555--563
W. W. Lee and
T. G. Jenkins and
S. Ethier A generalized weight-based
particle-in-cell simulation scheme . . . 564--569
N. Mellet and
W. A. Cooper and
P. Popovich and
L. Villard and
S. Brunner Convolution and iterative methods
applied to low-frequency waves in $3$D
warm configurations . . . . . . . . . . 570--589
D. Romero-Laorden and
O. Martínez-Graullera and
C. J. Martín and
M. Pérez and
L. G. Ullate Field modelling acceleration on
ultrasonic systems using graphic
hardware . . . . . . . . . . . . . . . . 590--599
Miroslav Morhác and
Vladislav Matousek Event sorting methods of $ \gamma $-ray
spectroscopic data . . . . . . . . . . . 600--610
Ulrich Welling and
Guido Germano Efficiency of linked cell algorithms . . 611--615
Huajun Zhu and
Songhe Song and
Yifa Tang Multi-symplectic wavelet collocation
method for the nonlinear Schrödinger
equation and the Camassa--Holm equation 616--627
N. Ferrando and
M. A. Gosálvez and
J. Cerdá and
R. Gadea and
K. Sato Octree-based, GPU implementation of a
continuous cellular automaton for the
simulation of complex, evolving surfaces 628--640
Viktor K. Decyk and
Tajendra V. Singh Adaptable Particle-in-Cell algorithms
for graphical processing units . . . . . 641--648
Zhen F. Tian A rational high-order compact ADI method
for unsteady convection-diffusion
equations . . . . . . . . . . . . . . . 649--662
Liang-Wu Cai On the computation of spherical Bessel
functions of complex arguments . . . . . 663--668
Javier Ibáñez and
Vicente Hernández Solving differential matrix Riccati
equations by a piecewise-linearized
method based on diagonal Padé
approximants . . . . . . . . . . . . . . 669--678
T. F. Silva and
M. N. Martins Statistical treatment of misalignments
in particle accelerators . . . . . . . . 679--682
M. S. Zakynthinaki and
R. O. Barakat and
C. A. Cordente Martínez and
J. Sampedro Molinuevo Stochastic optimization for the
detection of changes in maternal heart
rate kinetics during pregnancy . . . . . 683--691
Vadim Demchik Pseudo-random number generators for
Monte Carlo simulations on ATI Graphics
Processing Units . . . . . . . . . . . . 692--705
Hanquan Wang and
Weibiao Xu An efficient numerical method for
simulating the dynamics of coupling
Bose--Einstein condensates in optical
resonators . . . . . . . . . . . . . . . 706--718
A. G. Cunha-Netto and
R. Dickman Critical behavior of hard-core lattice
gases: Wang--Landau sampling with
adaptive windows . . . . . . . . . . . . 719--725
Binh Trieu and
Kristel Michielsen and
Hans De Raedt Event-based simulation of light
propagation in lossless dielectric media 726--734
V. Krasilnikov and
D. Marocco and
B. Esposito and
M. Riva and
Yu. Kaschuck Fast pulse detection algorithms for
digitized waveforms from scintillators 735--738
Robert Fleischhaker and
Jörg Evers A Maxwell--Schrödinger solver for quantum
optical few-level systems . . . . . . . 739--747
M. Slawinska and
S. Jadach MCdevelop --- a universal framework for
stochastic simulations . . . . . . . . . 748--762
G. Bélanger and
Neil D. Christensen and
A. Pukhov and
A. Semenov SLHAplus: a library for implementing
extensions of the Standard Model . . . . 763--774
Markus Wallerberger and
Katharina Igenbergs and
Josef Schweinzer and
Friedrich Aumayr Fast computation of close-coupling
exchange integrals using polynomials in
a tree representation . . . . . . . . . 775--778
N. Davidson and
P. Golonka and
T. Przedzi\'nski and
Z. W\kas MC-TESTER v. 1.23: a universal tool for
comparisons of Monte Carlo predictions
for particle decays in high energy
physics . . . . . . . . . . . . . . . . 779--789
A. V. Smirnov and
V. A. Smirnov and
M. Tentyukov FIESTA 2: Parallelizeable multiloop
numerical calculations . . . . . . . . . 790--803
Abhishek K. Singh and
Evgeni S. Penev and
Boris I. Yakobson Armchair or Zigzag? A tool for
characterizing graphene edge . . . . . . 804--807
Florian Staub Automatic calculation of supersymmetric
renormalization group equations and loop
corrections . . . . . . . . . . . . . . 808--833
Ioannis G. Tsoulos and
Athanassios Stavrakoudis Eucb: a C++ program for molecular
dynamics trajectory analysis . . . . . . 834--841
G. Bélanger and
F. Boudjema and
P. Brun and
A. Pukhov and
S. Rosier-Lees and
P. Salati and
A. Semenov Indirect search for dark matter with
micrOMEGAs\_2.4 . . . . . . . . . . . . 842--856
Anonymous Editorial Board . . . . . . . . . . . . ??
José Juan Tapia and
Roshan M. D'Souza Parallelizing the Cellular Potts Model
on graphics processing units . . . . . . 857--865
M. Antuono and
A. Colagrossi and
S. Marrone and
C. Lugni Propagation of gravity waves through an
SPH scheme with numerical diffusive
terms . . . . . . . . . . . . . . . . . 866--877
Jacques C. R. Bloch and
Simon Heybrock A nested Krylov subspace method to
compute the sign function of large
complex matrices . . . . . . . . . . . . 878--889
Luis Cabellos and
Isabel Campos and
Enol Fernández-del-Castillo and
Michal Owsiak and
Bartek Palak and
Marcin Plóciennik Scientific workflow orchestration
interoperating HTC and HPC resources . . 890--897
W. Michael Brown and
Peng Wang and
Steven J. Plimpton and
Arnold N. Tharrington Implementing molecular dynamics on
hybrid high performance computers ---
short range forces . . . . . . . . . . . 898--911
M. Jucker and
J. P. Graves and
W. A. Cooper and
N. Mellet and
T. Johnson and
S. Brunner Integrated modeling for ion cyclotron
resonant heating in toroidal systems . . 912--925
D. C. Rapaport Enhanced molecular dynamics performance
with a programmable graphics processor 926--934
Zachary B. Walters Efficient wavefunction propagation by
minimizing accumulated action . . . . . 935--939
Ya. A. Ilyushin and
V. P. Budak Analysis of the propagation of the
femtosecond laser pulse in the
scattering medium . . . . . . . . . . . 940--945
Joachim Müller and
Sven Simon and
Uwe Motschmann and
Josef Schüle and
Karl-Heinz Glassmeier and
Gavin J. Pringle A.I.K.E.F.: Adaptive hybrid model for
space plasma simulations . . . . . . . . 946--966
Graziela Grise and
Michael Meyer-Hermann Surface reconstruction using Delaunay
triangulation for applications in life
sciences . . . . . . . . . . . . . . . . 967--977
Francesca Campolongo and
Andrea Saltelli and
Jessica Cariboni From screening to quantitative
sensitivity analysis. A unified approach 978--988
Alison Barros and
Euler de Vilhena Garcia and
Rafael Morgado Silva Simulation of stochastic processes using
graphics hardware . . . . . . . . . . . 989--993
Shamsul Qamar and
Muhammad Yousaf and
Sidrah Mudasser The space--time CE/SE method for solving
ultra-relativistic Euler equations . . . 994--1004
R. Kleiber and
R. Hatzky and
A. Könies and
K. Kauffmann and
P. Helander An improved control-variate scheme for
particle-in-cell simulations with
collisions . . . . . . . . . . . . . . . 1005--1012
S. K. Lai and
Yu-Ting Lin and
P. J. Hsu and
S. A. Cheong Dynamical study of metallic clusters
using the statistical method of time
series clustering . . . . . . . . . . . 1013--1026
Jae Hwan Lee and
Seung-Yeon Kim and
Julian Lee Parallel algorithm for calculation of
the exact partition function of a
lattice polymer . . . . . . . . . . . . 1027--1033
M. Aliev and
H. Lacker and
U. Langenfeld and
S. Moch and
P. Uwer and
M. Wiedermann HATHOR --- HAdronic Top and Heavy quarks
crOss section calculatoR . . . . . . . . 1034--1046
Alejandro Lorca and
Eduardo Huedo and
Ignacio M. Llorente The Grid[Way] Job Template Manager, a
tool for parameter sweeping . . . . . . 1047--1060
Matthew O. Zacate and
William E. Evenson Stochastic hyperfine interactions
modeling library . . . . . . . . . . . . 1061--1077
Emanuel Gull and
Philipp Werner and
Sebastian Fuchs and
Brigitte Surer and
Thomas Pruschke and
Matthias Troyer Continuous-time quantum Monte Carlo
impurity solvers . . . . . . . . . . . . 1078--1082
Niall Moran and
Graham Kells and
Jiri Vala Diagonalisation of quantum observables
on regular lattices and general graphs 1083--1092
M. J. Harvey and
G. De Fabritiis Swan: a tool for porting CUDA programs
to OpenCL . . . . . . . . . . . . . . . 1093--1099
Alexis Diaz-Torres PLATYPUS: a code for reaction dynamics
of weakly-bound nuclei at near-barrier
energies within a classical dynamical
model . . . . . . . . . . . . . . . . . 1100--1104
Anonymous Editorial Board . . . . . . . . . . . . ??
Sergio M. Davis and
Anatoly B. Belonoshko and
Börje Johansson SearchFill: a stochastic optimization
code for detecting atomic vacancies in
crystalline and non-crystalline systems 1105--1110
Yali Liu and
Changjun Hu and
Chongchong Zhao Efficient parallel implementation of
Ewald summation in molecular dynamics
simulations on multi-core platforms . . 1111--1119
Peter H. Colberg and
Felix Höfling Highly accelerated simulations of glassy
dynamics using GPUs: Caveats on limited
floating-point precision . . . . . . . . 1120--1129
J. B. Santos-Filho and
J. A. Plascak Monte Carlo simulations of the
site-diluted three-dimensional XY model 1130--1133
Ram K. Pandey and
Om. P. Singh and
Vipul K. Baranwal An analytic algorithm for the
space--time fractional
advection-dispersion equation . . . . . 1134--1144
Darío M. Mitnik and
Flavio D. Colavecchia and
Gustavo Gasaneo and
Juan M. Randazzo Computational methods for Generalized
Sturmians basis . . . . . . . . . . . . 1145--1155
A. E. Vladimirov and
S. W. Digel and
G. Jóhannesson and
P. F. Michelson and
I. V. Moskalenko and
P. L. Nolan and
E. Orlando and
T. A. Porter and
A. W. Strong GALPROP WebRun: An Internet-based
service for calculating galactic cosmic
ray propagation and associated photon
emissions . . . . . . . . . . . . . . . 1156--1161
Shoji Hamada GPU-accelerated indirect boundary
element method for voxel model analyses
with fast multipole method . . . . . . . 1162--1168
M. S. Reis Models for zero-dimensional molecular
magnets . . . . . . . . . . . . . . . . 1169--1177
Shin-ichi Satake and
Gaku Sorimachi and
Nobuyuki Masuda and
Tomoyoshi Ito Special-purpose computer for Particle
Image Velocimetry . . . . . . . . . . . 1178--1182
Torbjörn Björkman CIF2Cell: Generating geometries for
electronic structure programs . . . . . 1183--1186
C. David Pruett and
William H. Ingham and
Ralph D. Herman Parallel implementation of an adaptive
and parameter-free $N$-body integrator 1187--1198
Liqiang Wei Direct and exact compute and table of
entire 3$j$, 6$j$, and 9$j$ symbols:
Erratum to CPC \bf 120 (1999) 222--230 1199--1199
Anonymous Editorial Board . . . . . . . . . . . . ??
Ki-Hwan Kim and
KyoungHo Kim and
Q-Han Park Performance analysis and optimization of
three-dimensional FDTD on GPU using
roofline model . . . . . . . . . . . . . 1201--1207
Mark G. Beckett and
Paul Coddington and
Bálint Joó and
Chris M. Maynard and
Dirk Pleiter and
Osamu Tatebe and
Tomoteru Yoshie Building the International Lattice Data
Grid . . . . . . . . . . . . . . . . . . 1208--1214
Z.-C. Li and
S.-Y. Chen and
C.-S. Chien and
H.-S. Chen A spectral collocation method for a
rotating Bose--Einstein condensation in
optical lattices . . . . . . . . . . . . 1215--1234
Brecht Verstichel and
Helen van Aggelen and
Dimitri Van Neck and
Patrick Bultinck and
Stijn De Baerdemacker A primal-dual semidefinite programming
algorithm tailored to the variational
determination of the two-body density
matrix . . . . . . . . . . . . . . . . . 1235--1244
Taisuke Ozaki and
Masayuki Toyoda Accurate finite element method for
atomic calculations based on density
functional theory and Hartree--Fock
method . . . . . . . . . . . . . . . . . 1245--1252
R. Bonciani and
G. Degrassi and
A. Vicini On the generalized harmonic
polylogarithms of one complex variable 1253--1264
M. Bernaschi and
G. Parisi and
L. Parisi Benchmarking GPU and CPU codes for
Heisenberg spin glass over-relaxation 1265--1271
Rio Yokota and
Jaydeep P. Bardhan and
Matthew G. Knepley and
L. A. Barba and
Tsuyoshi Hamada Biomolecular electrostatics using a fast
multipole BEM on up to 512 GPUs and a
billion unknowns . . . . . . . . . . . . 1272--1283
Mehdi Dehghan and
Rooholah Jazlanian A high-order non-oscillatory central
scheme with non-staggered grids for
hyperbolic conservation laws . . . . . . 1284--1294
Guoxin Cheng and
Lie Liu Monte Carlo modeling of secondary
electron emission and its incorporation
in particle simulations of
electron-surface interaction . . . . . . 1295--1303
Alain Carapelle and
Jean-Marc Defise and
David Strivay and
Henri-Pierre Garnir Handheld modern computer brings new
features to portable X-ray fluorescence
coating thickness measurement device . . 1304--1306
Gergely Endr\Hodi Multidimensional spline integration of
scattered data . . . . . . . . . . . . . 1307--1314
Charlotte Froese Fischer A B-spline Hartree--Fock program . . . . 1315--1326
Christian B. Mendl The FermiFab toolbox for fermionic
many-particle quantum systems . . . . . 1327--1337
Henryk Czyz and
Sergiy Ivashyn EKHARA: a Monte Carlo generator for $
e^+ e^- \to e^+ e^- \pi^0 $ and $ e^+
e^- \to e^+ e^- \pi^+ \pi^- $ processes 1338--1349
Preetma Soin and
A. P. Horsfield and
D. Nguyen-Manh Efficient self-consistency for magnetic
tight binding . . . . . . . . . . . . . 1350--1360
Zhiwei Lin and
Shaoen Jiang and
Shunchao Wu and
Longyu Kuang A local rezoning and remapping method
for unstructured mesh . . . . . . . . . 1361--1376
S. Mickevicius and
E. Brazauskas and
D. Germanas and
R. K. Kalinauskas The four-particle harmonic-oscillator
brackets: Compact expressions and
updated Fortran program . . . . . . . . 1377--1381
Thomas Müller GeodesicViewer --- a tool for exploring
geodesics in the theory of relativity 1382--1383
Anonymous ROOT --- a C++ framework for petabyte
data storage, statistical analysis and
visualization . . . . . . . . . . . . . 1384--1385
Thomas Müller Motion4D-library extended . . . . . . . 1386--1388
Andrzej Daniluk Cooperative and competitive concurrency
in scientific computing. A full
open-source upgrade of the program for
dynamical calculations of RHEED
intensity oscillations . . . . . . . . . 1389--1390
Anonymous Editorial Board . . . . . . . . . . . . ??
M. Blank and
A. Krassnigg Matrix algorithms for solving
(in)homogeneous bound state equations 1391--1401
Raoudha Chaabane and
Faouzi Askri and
Sassi Ben Nasrallah Analysis of two-dimensional transient
conduction-radiation problems in an
anisotropically scattering participating
enclosure using the lattice Boltzmann
method and the control volume finite
element method . . . . . . . . . . . . . 1402--1413
J. M. Alcaraz-Pelegrina and
P. Rodríguez-García Simulations of pulse propagation in
optical fibers using graphics processor
units . . . . . . . . . . . . . . . . . 1414--1420
Stefan Maintz and
Bernhard Eck and
Richard Dronskowski Speeding up plane-wave
electronic-structure calculations using
graphics-processing units . . . . . . . 1421--1427
Barbara Kirchner and
Christian Spickermann and
Sebastian B. C. Lehmann and
Eva Perlt and
Johanna Langner and
Michael von Domaros and
Patricia Reuther and
Frank Uhlig and
Miriam Kohagen and
Marc Brüssel What can clusters tell us about the
bulk?: Peacemaker: Extended quantum
cluster equilibrium calculations . . . . 1428--1446
Jun Li and
Yi Sun and
Zhiwei Cui and
Fanlin Zeng Least square method for the calculation
of elastic constants . . . . . . . . . . 1447--1451
Albert H. Mao and
Rohit V. Pappu Exact recording of
Metropolis--Hastings-class Monte Carlo
simulations using one bit per sample . . 1452--1454
Apostol Gramada and
Philip E. Bourne Coarse-graining the electrostatic
potential via distributed multipole
expansions . . . . . . . . . . . . . . . 1455--1462
V. N. Pavlov and
M. V. Chukalina and
A. A. Veligzhanin and
Y. V. Zubavichus Optimum filtering and stochastic
optimization in EXAFS data analysis . . 1463--1466
Henrik Schulz and
Géza Ódor and
Gergely Ódor and
Máté Ferenc Nagy Simulation of $ 1 + 1 $ dimensional
surface growth and lattices gases using
GPUs . . . . . . . . . . . . . . . . . . 1467--1476
Tomasz Korzec and
Ingmar Vierhaus and
Ulli Wolff Performance of a worm algorithm in $
\phi^4 $ theory at finite quartic
coupling . . . . . . . . . . . . . . . . 1477--1480
Xiong You and
Yonghui Zhang and
Jinxi Zhao Trigonometrically-fitted Scheifele
two-step methods for perturbed
oscillators . . . . . . . . . . . . . . 1481--1490
D. Emeliyanov A new algorithm for fitting tracks with
energy losses due to Bremsstrahlung . . 1491--1501
Manhui Wang and
Andrew J. May and
Peter J. Knowles Improved version of parallel programming
interface for distributed data with
multiple helper servers . . . . . . . . 1502--1506
I. Shkarofsky and
M. Shoucri A numerical code for the calculation of
relativistic electron cyclotron damping
with an arbitrary distribution function
at an arbitrary harmonic . . . . . . . . 1507--1517
L. Yu. Barash and
L. N. Shchur RNGSSELIB: Program library for random
number generation, SSE2 realization . . 1518--1527
N. R. Badnell A Breit--Pauli distorted wave
implementation for autostructure . . . . 1528--1535
B. Milenkovic and
N. Stevanovic and
D. Nikezic and
M. Ivanovic Computer program Neutron\_CR-39 for
simulation of neutrons from an Am--Be
source and calculation of proton track
profiles . . . . . . . . . . . . . . . . 1536--1542
Christoph Horst and
Jürgen Reuter CleGo: a package for automated
computation of Clebsch--Gordan
coefficients in tensor product
representations for Lie algebras
$A$--$G$ . . . . . . . . . . . . . . . . 1543--1565
Jonathon Carter and
Gudrun Heinrich SecDec: a general program for sector
decomposition . . . . . . . . . . . . . 1566--1581
A. Arbey and
F. Mahmoudi SuperIso Relic v3.0: a program for
calculating relic density and flavour
physics observables: Extension to NMSSM 1582--1583
Anonymous Editorial Board . . . . . . . . . . . . ??
Jun Liu A general method for testing validity of
one-particle spectral functions . . . . 1585--1588
Gang Wang and
Huiyu Zhu and
Quanhua Sun and
Deliang Zhang and
Kaixin Liu An improved CE/SE scheme and its
application to dilute gas-particle flows 1589--1601
F. L. Braga and
M. S. Ribeiro Diffusion Limited Aggregation: Algorithm
optimization revisited . . . . . . . . . 1602--1605
Zhen-ran Jiang and
Wei-ming Yu and
Ran Tao Predicting important classes of
chemokine family based on kernel method 1606--1609
D. A. Baver and
J. R. Myra and
M. V. Umansky Linear eigenvalue code for edge plasma
in full tokamak X-point geometry . . . . 1610--1620
M. Wen and
A. Barnoush and
K. Yokogawa Calculation of all cubic single-crystal
elastic constants from single atomistic
simulation: Hydrogen effect and elastic
constants of nickel . . . . . . . . . . 1621--1625
G. A. Panopoulos and
Z. A. Anastassi and
T. E. Simos A symmetric eight-step
predictor-corrector method for the
numerical solution of the radial
Schrödinger equation and related IVPs
with oscillating solutions . . . . . . . 1626--1637
Jonathan Gross and
Wolfhard Janke and
Michael Bachmann Massively parallelized replica-exchange
simulations of polymers on GPUs . . . . 1638--1644
Xiuling Hu and
Luming Zhang A compact finite difference scheme for
the fourth-order fractional
diffusion-wave system . . . . . . . . . 1645--1650
Kyle A. Wendt and
Joaquín E. Drut and
Timo A. Lähde Toward large-scale Hybrid Monte Carlo
simulations of the Hubbard model on
graphics processing units . . . . . . . 1651--1656
Dmitrii Nabok and
Peter Puschnig and
Claudia Ambrosch-Draxl noloco: An efficient implementation of
van der Waals density functionals based
on a Monte--Carlo integration technique 1657--1662
Edward Farhi and
Jeffrey Goldstone and
David Gosset and
Harvey B. Meyer A Quantum Monte Carlo method at fixed
energy . . . . . . . . . . . . . . . . . 1663--1673
S. Badger and
B. Biedermann and
P. Uwer NGluon: a package to calculate one-loop
multi-gluon amplitudes . . . . . . . . . 1674--1692
Frank Tabakin and
Bruno Juliá-Díaz QCWAVE --- a Mathematica quantum
computer simulation update . . . . . . . 1693--1707
A. Otero-de-la-Roza and
Víctor Luaña Gibbs 2: a new version of the
quasi-harmonic model code. I. Robust
treatment of the static data . . . . . . 1708--1720
Lai Wang and
Frank X. Lee MathQCDSR: a Mathematica package for QCD
sum rules calculations . . . . . . . . . 1721--1731
Özgür Çobano\uglu and
Erkcan Özcan and
Saleh Sultansoy and
Gökhan Ünel OPUCEM: a library with error checking
mechanism for computing oblique
parameters . . . . . . . . . . . . . . . 1732--1743
Osman Bari\cs Malcio\uglu and
Ralph Gebauer and
Dario Rocca and
Stefano Baroni turboTDDFT --- a code for the simulation
of molecular spectra using the
Liouville--Lanczos approach to
time-dependent density-functional
perturbation theory . . . . . . . . . . 1744--1754
Anonymous Editorial Board . . . . . . . . . . . . ??
Alex Hansen and
Asle Sudbò Preface . . . . . . . . . . . . . . . . 1755--1755
Kihyeon Cho and
Junghyun Kim and
Soo-hyeon Nam Collider physics based on e-Science
paradigm of experiment-computing-theory 1756--1759
Volker Blobel and
Claus Kleinwort and
Frank Meier Fast alignment of a complex tracking
detector using advanced track models . . 1760--1763
Adam Burrows and
Jason Nordhaus and
Ann Almgren and
John Bell The potential role of spatial dimension
in the neutrino-driving mechanism of
core-collapse supernova explosions . . . 1764--1766
U. Shumlak and
R. Lilly and
N. Reddell and
E. Sousa and
B. Srinivasan Advanced physics calculations using a
multi-fluid plasma model . . . . . . . . 1767--1770
Xijun Yu and
Di Wu and
Yun Xu Three dimensional discontinuous Galerkin
methods for Euler equations on adaptive
conforming meshes . . . . . . . . . . . 1771--1775
Jirí Jenista and
Hidemasa Takana and
Hideya Nishiyama and
Milada Bartlová and
Vladimír Aubrecht and
Petr Krenek and
Viktor Sember and
Alan Masláni A comparative numerical study of
hybrid-stabilized argon-water electric
arc . . . . . . . . . . . . . . . . . . 1776--1783
Petr Jelínek and
Gerhard Hensler The collisions of high-velocity clouds
with the galactic halo . . . . . . . . . 1784--1789
Evgeny Z. Liverts and
Nir Barnea $S$-states of helium-like ions . . . . . 1790--1795
Giovanna Zilibotti and
Mauro Ferrario and
Carlo Maria Bertoni and
Maria Clelia Righi Ab initio calculation of adhesion and
potential corrugation of diamond (001)
interfaces . . . . . . . . . . . . . . . 1796--1799
Kristian Berland and
Òyvind Borck and
Per Hyldgaard Van der Waals density functional
calculations of binding in molecular
crystals . . . . . . . . . . . . . . . . 1800--1804
Elisa Londero and
Elsebeth Schröder Vanadium pentoxide (V$_2$O$_5$): a van
der Waals density functional study . . . 1805--1809
Asif Mushtaq and
Amna Noreen and
Kåre Olaussen and
Ingjald Òverbò Very-high-precision solutions of a class
of Schrödinger type equations . . . . . . 1810--1813
Jochen Rohrer and
Per Hyldgaard Computational scheme for ab-initio
predictions of chemical compositions
interfaces realized by deposition growth 1814--1818
A. Yu. Menshutin and
L. N. Shchur Morphological diagram of diffusion
driven aggregate growth in plane:
Competition of anisotropy and adhesion 1819--1823
Gabriel Villalobos and
Ferenc Kun and
Dorian L. Linero and
José D. Muñoz Size distribution and waiting times for
the avalanches of the Cell Network Model
of Fracture . . . . . . . . . . . . . . 1824--1827
O. Melchert and
A. K. Hartmann A dedicated algorithm for calculating
ground states for the triangular random
bond Ising model . . . . . . . . . . . . 1828--1832
Martin Weigel Simulating spin models on GPU . . . . . 1833--1836
A. Tröster Wilson's momentum shell renormalization
group from Fourier Monte Carlo
simulations . . . . . . . . . . . . . . 1837--1841
S. González and
A. R. Thornton and
S. Luding An event-driven algorithm for fractal
cluster formation . . . . . . . . . . . 1842--1845
C. De Michele Optimizing event-driven simulations . . 1846--1850
Jahir Abbas Ahmed and
S. B. Santra Rotational sandpile models: a finite
size scaling study . . . . . . . . . . . 1851--1855
Heitor C. M. Fernandes and
Martin Weigel Non-reversible Monte Carlo simulations
of spin models . . . . . . . . . . . . . 1856--1859
W. F. Oquendo and
J. D. Muñoz and
A. Lizcano Influence of rotations on the critical
state of soil mechanics . . . . . . . . 1860--1865
Gerardo Iñiguez and
Rafael A. Barrio and
János Kertész and
Kimmo K. Kaski Modelling opinion formation driven
communities in social networks . . . . . 1866--1869
Osamu Sano Flow-induced waterway in a heterogeneous
granular material . . . . . . . . . . . 1870--1874
Leonardo Costa Ribeiro and
Ricardo Machado Ruiz and
Eduardo da Motta e Albuquerque and
Américo T. Bernardes The diffusion of technological knowledge
through interlaced networks . . . . . . 1875--1878
Jacob D. Stevenson and
Martin Weigel Percolation and Schramm--Loewner
evolution in the $2$D random-field Ising
model . . . . . . . . . . . . . . . . . 1879--1882
Frank Beyer and
Martin Weigel Spin stiffness of vector spin glasses 1883--1887
Hiromi Otsuka Phase transitions in square-lattice
dimer model with anisotropic
interactions . . . . . . . . . . . . . . 1888--1891
D. Wilms and
A. Winkler and
P. Virnau and
K. Binder Monte Carlo simulations of the 2d-Ising
model in the geometry of a long stripe 1892--1895
Ying Wai Li and
Thomas Wüst and
David P. Landau Monte Carlo simulations of the HP model
(the ``Ising model'' of protein folding) 1896--1899
Pawel Sobczak and
Lukasz Kucharski and
Grzegorz Kamieniarz Genetic algorithm approach to
calculation of geometric configurations
of $2$D clusters of uniformly charged
classical particles . . . . . . . . . . 1900--1903
Ingve Simonsen and
Jacob B. Kryvi and
Alexei A. Maradudin and
Tamara A. Leskova Light scattering from anisotropic,
randomly rough, perfectly conducting
surfaces . . . . . . . . . . . . . . . . 1904--1908
Malihe Ghodrat and
Afshin Montakhab Molecular dynamics simulation of a
relativistic gas: Thermostatistical
properties . . . . . . . . . . . . . . . 1909--1913
Olga Rancova and
Egidijus Anisimovas and
Tadas Varanavicius Numerical modeling of structural
transitions in few-particle confined
$2$D systems . . . . . . . . . . . . . . 1914--1918
V. Ballenegger and
J. J. Cerd\`a and
C. Holm Removal of spurious self-interactions in
particle-mesh methods . . . . . . . . . 1919--1923
Przemyslaw Gawro\'nski and
Krzysztof Kulakowski Crowd dynamics --- being stuck . . . . . 1924--1927
Thomas Vogel and
Michael Bachmann Adsorption of polymers at nanowires . . 1928--1931
M. Florens and
B. Sapoval and
M. Filoche The optimal branching asymmetry of a
bidirectional distribution tree . . . . 1932--1936
Christoph Junghans and
Wolfhard Janke and
Michael Bachmann Hierarchies in nucleation transitions 1937--1940
Jens Smiatek and
Friederike Schmid Mesoscopic simulations of electroosmotic
flow and electrophoresis in nanochannels 1941--1944
Daniel Reith and
Peter Virnau Monte Carlo simulations of a single
polystyrene chain in spherical
confinement . . . . . . . . . . . . . . 1945--1948
H. Meyer and
N. Schulmann and
J. E. Zabel and
J. P. Wittmer The structure factor of dense
two-dimensional polymer solutions . . . 1949--1953
Jon\`as Sala and
Elvira Gu\`ardia and
Marco Masia Improving the force matching algorithm:
Application to a simple point charge
flexible model of water . . . . . . . . 1954--1957
Shigenori Matsumoto and
Fumiko Takagi and
Takashi Shimada and
Nobuyasu Ito Molecular dynamics simulation of
ribosome jam . . . . . . . . . . . . . . 1958--1960
Monika Möddel and
Wolfhard Janke and
Michael Bachmann Adsorption of finite polymers in
different thermodynamic ensembles . . . 1961--1965
Viktoria Blavatska and
Wolfhard Janke $ \Theta $-polymers in crowded media
under stretching force . . . . . . . . . 1966--1969
L. Angelani and
R. Di Leonardo Numerical modeling of bacteria propelled
micromotors . . . . . . . . . . . . . . 1970--1973
I. V. Morozov and
A. M. Kazennov and
R. G. Bystryi and
G. E. Norman and
V. V. Pisarev and
V. V. Stegailov Molecular dynamics simulations of the
relaxation processes in the condensed
matter on GPUs . . . . . . . . . . . . . 1974--1978
K. N. Nigussa and
J. A. Stòvneng Theoretical investigation of the
interaction of oxygen with pure and
K-doped NiTi shape memory surface alloys 1979--1983
Srutarshi Pradhan Can we predict the failure point of a
loaded composite material? . . . . . . . 1984--1988
Xizhong An and
Runyu Yang and
Kejun Dong and
Aibing Yu DEM study of crystallization of
monosized spheres under mechanical
vibrations . . . . . . . . . . . . . . . 1989--1994
Matthias Degroote and
Dimitri Van Neck and
Carlo Barbieri Faddeev Random Phase Approximation for
molecules . . . . . . . . . . . . . . . 1995--1998
M. Ögren and
K. V. Kheruntsyan and
J. F. Corney Stochastic simulations of fermionic
dynamics with phase-space
representations . . . . . . . . . . . . 1999--2003
Titus A. Beu Simulation of the flow of aqueous
solutions through carbon nanotubes . . . 2004--2008
Joan Adler and
Jeremie Zaffran and
Amihai Silverman and
Anastassia Sorkin and
Or Cohen and
Rafi Kalish Simulation and visualization of
nanodiamond and nanographite . . . . . . 2009--2012
A. Barasi\'nski and
A. Drzewi\'nski and
G. Kamieniarz Quantum effects and Haldane gap in
magnetic chains with alternating
anisotropy axes . . . . . . . . . . . . 2013--2016
M. S. Dhaka and
G. Sharma and
M. C. Mishra and
K. B. Joshi and
R. K. Kothari and
B. K. Sharma Electron momentum density distribution
in Cd$_3$P$_2$ . . . . . . . . . . . . . 2017--2020
M. J. Wolak and
V. G. Rousseau and
G. G. Batrouni Pairing in population imbalanced fermion
systems . . . . . . . . . . . . . . . . 2021--2024
Brecht Verstichel and
Helen van Aggelen and
Dimitri Van Neck and
Paul W. Ayers and
Patrick Bultinck Variational density matrix optimization
using semidefinite programming . . . . . 2025--2028
H. Dixit and
R. Saniz and
D. Lamoen and
B. Partoens Accurate pseudopotential description of
the GW bandstructure of ZnO . . . . . . 2029--2031
Keiji Hayashi and
Tomoki Shiraishi and
Kazuho Toyoda and
Fumiya Tanaka and
Taiga Mori and
Takumi Hata Temperature-controlled molecular
dynamics study on velocity-dependent
threshold behavior of dynamic
nano-friction . . . . . . . . . . . . . 2032--2035
Michael Knap and
Enrico Arrigoni and
Wolfgang von der Linden Polaritonic properties of the
Jaynes--Cummings lattice model in two
dimensions . . . . . . . . . . . . . . . 2036--2040
N. Attig and
P. Gibbon and
Th. Lippert Trends in supercomputing: The European
path to exascale . . . . . . . . . . . . 2041--2046
Xavier Sáez and
Alejandro Soba and
Edilberto Sánchez and
Ralf Kleiber and
Francisco Castejón and
José M. Cela Improvements of the particle-in-cell
code EUTERPE for petascaling machines 2047--2051
I. V. Morozov and
I. A. Valuev Automatic distributed workflow
generation with GridMD library . . . . . 2052--2058
María Eugenia Castro and
Javier Díaz and
Camelia Muñoz-Caro and
Alfonso Niño A uniform object-oriented solution to
the eigenvalue problem for real
symmetric and Hermitian matrices . . . . 2059--2064
N. Chetty New modalities for scientific engagement
in Africa --- the case for computational
physics . . . . . . . . . . . . . . . . 2065--2070
Rubin H. Landau and
Manuel J. Paez and
Cristian Bordeianu and
Sally Haerer Making physics education more relevant
and accessible via computation and
eTextBooks . . . . . . . . . . . . . . . 2071--2075
Anonymous Editorial Board . . . . . . . . . . . . ??
Alexander Pletzer and
H. R. Strauss An efficient method for solving elliptic
boundary element problems with
application to the tokamak vacuum
problem . . . . . . . . . . . . . . . . 2077--2083
Felipe A. Cruz and
Simon K. Layton and
L. A. Barba How to obtain efficient GPU kernels: An
illustration using FMM & FGT algorithms 2084--2098
V. Roudnev and
Michael Cavagnero Automatic grid construction for few-body
quantum-mechanical calculations . . . . 2099--2106
Georg P. Engel and
Stefan Schaefer Testing trivializing maps in the hybrid
Monte Carlo algorithm . . . . . . . . . 2107--2114
Hsiao-Ping Hsu and
Wolfgang Paul A fast Monte Carlo algorithm for
studying bottle-brush polymers . . . . . 2115--2121
Tomás S. Grigera glsim: a general library for numerical
simulation . . . . . . . . . . . . . . . 2122--2131
Hon-Cheng Wong and
Un-Hong Wong and
Xueshang Feng and
Zesheng Tang Efficient magnetohydrodynamic
simulations on graphics processing units
with CUDA . . . . . . . . . . . . . . . 2132--2160
Philipp Mertmann and
Denis Eremin and
Thomas Mussenbrock and
Ralf Peter Brinkmann and
Peter Awakowicz Fine-sorting one-dimensional
particle-in-cell algorithm with
Monte--Carlo collisions on a graphics
processing unit . . . . . . . . . . . . 2161--2167
Ralf Gamillscheg and
Gundolf Haase and
Wolfgang von der Linden A numerical projection technique for
large-scale eigenvalue problems . . . . 2168--2173
Matthew Shelley and
Nicolas Poilvert and
Arash A. Mostofi and
Nicola Marzari Automated quantum conductance
calculations using maximally-localised
Wannier functions . . . . . . . . . . . 2174--2183
Dirk Reith and
Karl N. Kirschner A modern workflow for force-field
development --- Bridging quantum
mechanics and atomistic computational
models . . . . . . . . . . . . . . . . . 2184--2191
H. S. Wiklund and
S. B. Lindström and
T. Uesaka Boundary condition considerations in
lattice Boltzmann formulations of
wetting binary fluids . . . . . . . . . 2192--2200
Ling Ti Kong Phonon dispersion measured directly from
molecular dynamics simulations . . . . . 2201--2207
Kangkang Wang and
Arthur R. Smith Efficient kinematical simulation of
reflection high-energy electron
diffraction streak patterns for crystal
surfaces . . . . . . . . . . . . . . . . 2208--2212
C. González-Ballestero and
L. M. Robledo and
G. F. Bertsch Numeric and symbolic evaluation of the
Pfaffian of general skew-symmetric
matrices . . . . . . . . . . . . . . . . 2213--2218
W. Frisch and
H. Eberl and
H. Hluchá HFOLD --- a program package for
calculating two-body MSSM Higgs decays
at full one-loop level . . . . . . . . . 2219--2226
Daniel J. Sindhikara Modular reweighting software for
statistical mechanical analysis of
biased equilibrium data . . . . . . . . 2227--2231
A. Otero-de-la-Roza and
David Abbasi-Pérez and
Víctor Luaña Gibbs 2: a new version of the
quasiharmonic model code. II. Models for
solid-state thermodynamics, features and
implementation . . . . . . . . . . . . . 2232--2248
P. M. Dupuy and
P. Austin and
G. W. Delaney and
M. P. Schwarz Pore scale definition and computation
from tomography data . . . . . . . . . . 2249--2258
Rok Zitko SNEG --- Mathematica package for
symbolic calculations with
second-quantization-operator expressions 2259--2264
Reuben D. Budiardja and
Christian Y. Cardall Parallel FFT-based Poisson solver for
isolated three-dimensional systems . . . 2265--2275
G. Cullen and
J.-Ph. Guillet and
G. Heinrich and
T. Kleinschmidt and
E. Pilon and
T. Reiter and
M. Rodgers Golem95C: a library for one-loop
integrals with complex masses . . . . . 2276--2284
T. Loke and
J. B. Wang An efficient quantum circuit analyser on
qubits and qudits . . . . . . . . . . . 2285--2294
Scott D. Berry and
Paul Bourke and
Jingbo B. Wang qwViz: Visualisation of quantum walks on
graphs . . . . . . . . . . . . . . . . . 2295--2302
A. V. Nesterenko and
C. Simolo QCDMAPT\_F: Fortran version of QCDMAPT
package . . . . . . . . . . . . . . . . 2303--2304
David C. Lonie and
Eva Zurek XtalOpt version r7: An open-source
evolutionary algorithm for crystal
structure prediction . . . . . . . . . . 2305--2306
Anonymous Editorial Board . . . . . . . . . . . . ??
Trung Dac Nguyen and
Carolyn L. Phillips and
Joshua A. Anderson and
Sharon C. Glotzer Rigid body constraints realized in
massively-parallel molecular dynamics on
graphics processing units . . . . . . . 2307--2313
F. Alhama and
F. Marín and
J. A. Moreno An efficient and reliable model to
simulate microscopic mechanical friction
in the Frenkel--Kontorova-Tomlinson
model . . . . . . . . . . . . . . . . . 2314--2325
Hui-Chin Tang and
Hwapeng Chang An exhaustive search for good 64-bit
linear congruential random number
generators with restricted multiplier 2326--2330
Yuchuan Chu and
Yong Cao and
Xiaoming He and
Min Luo Asymptotic boundary conditions with
immersed finite elements for interface
magnetostatic/electrostatic field
problems with open boundary . . . . . . 2331--2338
Robert J. Hinde QSATS: MPI-driven quantum simulations of
atomic solids at zero temperature . . . 2339--2349
Stephan Deublein and
Bernhard Eckl and
Jürgen Stoll and
Sergey V. Lishchuk and
Gabriela Guevara-Carrion and
Colin W. Glass and
Thorsten Merker and
Martin Bernreuther and
Hans Hasse and
Jadran Vrabec ms 2: a molecular simulation tool for
thermodynamic properties . . . . . . . . 2350--2367
G. Cullen and
M. Koch-Janusz and
T. Reiter spinney: a Form library for helicity
spinors . . . . . . . . . . . . . . . . 2368--2387
Ryan Gavin and
Ye Li and
Frank Petriello and
Seth Quackenbush FEWZ 2.0: a code for hadronic $Z$
production at next-to-next-to-leading
order . . . . . . . . . . . . . . . . . 2388--2403
Claude Duhr and
Benjamin Fuks A superspace module for the FeynRules
package . . . . . . . . . . . . . . . . 2404--2426
A. van Hameren OneLOop: For the evaluation of one-loop
scalar functions . . . . . . . . . . . . 2427--2438
Sam J. Cipolla ISICS2011, an updated version of ISICS:
a program for calculation K-, L-, and
M-shell cross sections from PWBA and
ECPSSR theories using a personal
computer . . . . . . . . . . . . . . . . 2439--2440
J. M. Badia and
J. L. Movilla and
J. I. Climente and
M. Castillo and
M. Marqués and
R. Mayo and
E. S. Quintana-Ortí and
J. Planelles A parallel solver for huge dense linear
systems . . . . . . . . . . . . . . . . 2441--2442
Jon\`as Sala and
Elvira Gu\`ardia and
Marco Masia Erratum to ``Improving the force
matching algorithm: Application to a
simple point charge flexible model of
water'' [Comput. Phys. Comm. \bf 182 (9)
(2011) 1954--1957] . . . . . . . . . . . 2443--2443
Anonymous Editorial Board . . . . . . . . . . . . ??
A. Frezzotti and
G. P. Ghiroldi and
L. Gibelli Solving the Boltzmann equation on GPUs 2445--2453
Heiko Bauke and
Christoph H. Keitel Accelerating the Fourier split operator
method via graphics processing units . . 2454--2463
Akbar Mohebbi and
Zohreh Asgari Efficient numerical algorithms for the
solution of ``good'' Boussinesq equation
in water wave propagation . . . . . . . 2464--2470
J. E. Macías-Díaz Sufficient conditions for the
preservation of the boundedness in a
numerical method for a physical model
with transport memory and nonlinear
damping . . . . . . . . . . . . . . . . 2471--2478
Adrian Alexandrescu and
José R. Salgueiro Efficient numerical method for linear
stability analysis of solitary waves . . 2479--2485
Jiyong Li and
Bin Wang and
Xiong You and
Xinyuan Wu Two-step extended RKN methods for
oscillatory systems . . . . . . . . . . 2486--2507
I. Silin and
R. Sydora Hybrid Fourier--Vlasov simulation in
non-inertial reference frames . . . . . 2508--2518
Mehdi Dehghan and
Ameneh Taleei A Chebyshev pseudospectral multidomain
method for the soliton solution of
coupled nonlinear Schrödinger equations 2519--2529
Jürgen Rubow and
Ulli Wolff A factorization algorithm to compute
Pfaffians . . . . . . . . . . . . . . . 2530--2532
A. Odrzywolek Gaussian integration with rescaling of
abscissas and weights . . . . . . . . . 2533--2539
Mehdi Dehghan and
Rezvan Salehi The solitary wave solution of the
two-dimensional regularized long-wave
equation in fluids and plasmas . . . . . 2540--2549
Andreas Kleefeld and
Tzu-Chu Lin The nonlinear Landweber method applied
to an inverse scattering problem for
sound-soft obstacles in $3$D . . . . . . 2550--2560
Michal Meres and
Ivan Melo and
Boris Tomásik and
Vladimír Balek and
Vladimír Cerný Generating heavy particles with energy
and momentum conservation . . . . . . . 2561--2566
Didier Sébilleau and
Calogero Natoli and
George M. Gavaza and
Haifeng Zhao and
Fabiana Da Pieve and
Keisuke Hatada MsSpec-1.0: a multiple scattering
package for electron spectroscopies in
material science . . . . . . . . . . . . 2567--2579
David D. Jenkins and
Gregory D. Peterson AESS: Accelerated Exact Stochastic
Simulation . . . . . . . . . . . . . . . 2580--2586
G. J. Ackland and
K. D'Mellow and
S. L. Daraszewicz and
D. J. Hepburn and
M. Uhrin and
K. Stratford The MOLDY short-range molecular dynamics
package . . . . . . . . . . . . . . . . 2587--2604
P. Bechtle and
O. Brein and
S. Heinemeyer and
G. Weiglein and
K. E. Williams HiggsBounds 2.0.0: Confronting neutral
and charged Higgs sector predictions
with exclusion bounds from LEP and the
Tevatron . . . . . . . . . . . . . . . . 2605--2631
Zi Li and
Xu Zhang and
Gang Lu A Fortran program for calculating
electron or hole mobility in disordered
semiconductors from first-principles . . 2632--2637
Ozlem Ozgun and
Gökhan Apaydin and
Mustafa Kuzuoglu and
Levent Sevgi PETOOL: Matlab-based one-way and two-way
split-step parabolic equation tool for
radiowave propagation over variable
terrain . . . . . . . . . . . . . . . . 2638--2654
Jiahang Zhong and
Run-Sheng Huang and
Shih-Chang Lee A program for the Bayesian Neural
Network in the ROOT framework . . . . . 2655--2660
Eduardo X. Miqueles and
Alvaro R. De Pierro C-library raft: Reconstruction
algorithms for tomography. Applications
to X-ray fluorescence tomography . . . . 2661--2673
Anonymous Editorial Board . . . . . . . . . . . . ??
Matthew G. Reuter and
Judith C. Hill and
Robert J. Harrison Solving PDEs in irregular geometries
with multiresolution methods I: Embedded
Dirichlet boundary conditions . . . . . 1--7
Nobuya Maeshima and
Ken-ichi Hino Parallelization of the R-matrix
propagation method for the study of
intense-laser-driven semiconductor
superlattices . . . . . . . . . . . . . 8--14
Zhijie Xu and
Hai Huang and
Xiaoyi Li and
Paul Meakin Phase field and level set methods for
modeling solute precipitation and/or
dissolution . . . . . . . . . . . . . . 15--19
S. Kaprzyk An algebraic formulation of the simplex
linear method for multiple integrals
over the $d$-dimensional domain . . . . 20--25
Filip A. Sala Mobile phone as a platform for numerical
simulation . . . . . . . . . . . . . . . 26--29
Chuan-Hui Zhang and
Qiong Ran and
Jiang Shen Structural stability of silicene-like
nanotubes . . . . . . . . . . . . . . . 30--33
Y. Nakamura and
K.-I. Ishikawa and
Y. Kuramashi and
T. Sakurai and
H. Tadano Modified block BiCGSTAB for lattice QCD 34--37
Nicolas Bigaouette and
Edward Ackad and
Lora Ramunno Nonlinear grid mapping applied to an
FDTD-based, multi-center $3$D Schrödinger
equation solver . . . . . . . . . . . . 38--45
Jiantong Weng and
Tomoyoshi Shimobaba and
Minoru Oikawa and
Nobuyuki Masuda and
Tomoyoshi Ito Fast recurrence relation for
computer-generated-hologram . . . . . . 46--49
Tao Jiang and
Jie Ouyang and
Jin-Lian Ren and
Bin-Xin Yang and
Xiao-Yang Xu A mixed corrected symmetric SPH
(MC--SSPH) method for computational
dynamic problems . . . . . . . . . . . . 50--62
L. Gr. Ixaru Runge--Kutta method with equation
dependent coefficients . . . . . . . . . 63--69
J. Waltz and
T. A. Gianakon A comparison of mix models for the
Rayleigh--Taylor instability . . . . . . 70--79
Roberto Barrio and
Marcos Rodríguez and
Fernando Blesa Computer-assisted proof of skeletons of
periodic orbits . . . . . . . . . . . . 80--85
Zhaoxia Chen and
Xiong You and
Wei Shi and
Zhongli Liu Symmetric and symplectic ERKN methods
for oscillatory Hamiltonian systems . . 86--98
M. S. Reis Models for one-dimensional molecular
magnets . . . . . . . . . . . . . . . . 99--105
Yezhi Lin and
Yinping Liu and
Zhibin Li Symbolic computation of analytic
approximate solutions for nonlinear
differential equations with initial
conditions . . . . . . . . . . . . . . . 106--117
Jaros\law Adam Miszczak Generating and using truly random
quantum states in Mathematica . . . . . 118--124
Valerio Novaresio and
María García-Camprubí and
Salvador Izquierdo and
Pietro Asinari and
Norberto Fueyo An open-source library for the numerical
modeling of mass-transfer in solid oxide
fuel cells . . . . . . . . . . . . . . . 125--146
Guillem Carles and
Carme Ferran and
Artur Carnicer and
Salvador Bosch Design and implementation of a
scene-dependent dynamically
selfadaptable wavefront coding imaging
system . . . . . . . . . . . . . . . . . 147--154
Beat Röthlisberger and
Jörg Lehmann and
Daniel Loss libCreme: An optimization library for
evaluating convex-roof entanglement
measures . . . . . . . . . . . . . . . . 155--165
N. Schunck and
J. Dobaczewski and
J. McDonnell and
W. Satula and
J. A. Sheikh and
A. Staszczak and
M. Stoitsov and
P. Toivanen Solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations in the Cartesian deformed
harmonic-oscillator basis.: (VII) \tt
hfodd (v2.49t): a new version of the
program . . . . . . . . . . . . . . . . 166--192
N. D. Gagunashvili CHICOM: a code of tests for comparing
unweighted and weighted histograms and
two weighted histograms . . . . . . . . 193--196
A. E. Botha General $R$-matrix approach for
integrating the multiband $ k \cdot p $
equation in layered semiconductor
structures . . . . . . . . . . . . . . . 197--202
Xevi Biarnés and
Fabio Pietrucci and
Fabrizio Marinelli and
Alessandro Laio METAGUI. A VMD interface for analyzing
metadynamics and molecular dynamics
simulations . . . . . . . . . . . . . . 203--211
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iv--vi
Anonymous Editorial Board . . . . . . . . . . . . ??
Andrzej Daniluk Visual modeling for scientific software
architecture design. A practical
approach . . . . . . . . . . . . . . . . 213--230
Carlos A. Jara and
Francisco Esquembre and
Wolfgang Christian and
Francisco A. Candelas and
Fernando Torres and
Sebastián Dormido A new $3$D visualization Java framework
based on physics principles . . . . . . 231--244
Luciano M. de Andrade Filho and
José Manoel de Seixas and
Roberto Agostino Vitillo and
Brian Thomas Martin Three-dimensional event visualization
for the ATLAS calorimeter . . . . . . . 245--250
K. Roeller and
S. Herminghaus and
A. Hager-Fingerle Sinusoidal shaking in event-driven
simulations . . . . . . . . . . . . . . 251--260
Yubao Zhen and
Chengbiao Chu A deformation-fluctuation hybrid method
for fast evaluation of elastic constants
with many-body potentials . . . . . . . 261--265
S. A. Galindo-Torres and
D. M. Pedroso and
D. J. Williams and
L. Li Breaking processes in three-dimensional
bonded granular materials with general
shapes . . . . . . . . . . . . . . . . . 266--277
Yong Gan and
J. K. Chen A hybrid method for integrated
atomistic-continuum simulation of
ultrashort-pulsed laser interaction with
semiconductors . . . . . . . . . . . . . 278--284
F. Mahmoudi and
S. Heinemeyer and
A. Arbey and
A. Bharucha and
T. Goto and
T. Hahn and
U. Haisch and
S. Kraml and
M. Muhlleitner and
J. Reuter and
P. Skands and
P. Slavich Flavour Les Houches Accord: Interfacing
flavour related codes . . . . . . . . . 285--298
Georg Bergner and
Ja\"\ir Wuilloud Acceleration of the Arnoldi method and
real eigenvalues of the non-Hermitian
Wilson--Dirac operator . . . . . . . . . 299--304
R. Kleiber and
R. Hatzky A partly matrix-free solver for the
gyrokinetic field equation in
three-dimensional geometry . . . . . . . 305--308
Xuesong Li and
Lin Ma Minimizing binary functions with
simulated annealing algorithm with
applications to binary tomography . . . 309--315
Mingzhe Liu and
Xianguo Tuo and
Zhe Li and
Jianbo Yang and
Yang Gao Asymmetric exclusion process for
modeling of information flow . . . . . . 316--319
Aleksander Stanislavsky and
Karina Weron Numerical scheme for calculating of the
fractional two-power relaxation laws in
time-domain of measurements . . . . . . 320--323
P. M. C. Rourke and
S. R. Julian Numerical extraction of de Haas--van
Alphen frequencies from calculated band
energies . . . . . . . . . . . . . . . . 324--332
Ben-Hao Sa and
Dai-Mei Zhou and
Yu-Liang Yan and
Xiao-Mei Li and
Sheng-Qin Feng and
Bao-Guo Dong and
Xu Cai PACIAE 2.0: An updated parton and hadron
cascade model (program) for the
relativistic nuclear collisions . . . . 333--346
S. Kaprzyk An algebraic formulation and
implementation of the tetrahedron linear
method for the Brillouin zone
integration of spectral functions . . . 347--362
T. Hynninen and
C. L. Dias and
A. Mkrtchyan and
V. Heinonen and
M. Karttunen and
A. S. Foster and
T. Ala-Nissila A molecular dynamics implementation of
the $3$D Mercedes--Benz water model . . 363--369
Ulrich Hohenester and
Andreas Trügler MNPBEM --- a Matlab toolbox for the
simulation of plasmonic nanoparticles 370--381
Joseph E. Curtis and
Sindhu Raghunandan and
Hirsh Nanda and
Susan Krueger SASSIE: a program to study intrinsically
disordered biological molecules and
macromolecular ensembles using
experimental scattering restraints . . . 382--389
Dennis M. Elking and
Lalith Perera and
Lee G. Pedersen HPAM: Hirshfeld partitioned atomic
multipoles . . . . . . . . . . . . . . . 390--397
Matej Batic and
Maria Grazia Pia and
Sam J. Cipolla ISICSoo: a class for the calculation of
ionization cross sections from ECPSSR
and PWBA theory . . . . . . . . . . . . 398--404
Christian Clason and
Gregory von Winckel A general spectral method for the
numerical simulation of one-dimensional
interacting fermions . . . . . . . . . . 405--417
N. D. Gagunashvili CHIWEI: a code of goodness of fit tests
for weighted and unweighted histograms 418--421
Dominik Stöckinger and
Philipp Varso FeynArts model file for MSSM transition
counterterms from DREG to DRED . . . . . 422--430
Sami Heinäsmäki IONIS: Approximate atomic
photoionization intensities . . . . . . 431--437
Paolo Barletta COOL: a code for Dynamic Monte Carlo
Simulation of molecular dynamics . . . . 438--439
Kwang Jin Oh and
Ji Hoon Kang and
Hun Joo Myung mm\_par2.0: An object-oriented molecular
dynamics simulation program parallelized
using a hierarchical scheme with MPI and
OPENMP . . . . . . . . . . . . . . . . . 440--441
Xian-You Wang and
Xing-Gang Wu A trick to improve the efficiency of
generating unweighted $ B c $ events
from BCVEGPY . . . . . . . . . . . . . . 442--445
Min Hyung Cho and
Wei Cai Revision of wFMM --- a Wideband Fast
Multipole Method for the two-dimensional
complex Helmholtz equation . . . . . . . 446--447
Anonymous Editorial Board . . . . . . . . . . . . ??
W. Michael Brown and
Axel Kohlmeyer and
Steven J. Plimpton and
Arnold N. Tharrington Implementing molecular dynamics on
hybrid high performance computers ---
Particle--particle particle--mesh . . . 449--459
T. Hahn The high-energy physicist's guide to
MathLink . . . . . . . . . . . . . . . . 460--469
A. A. Kosti and
Z. A. Anastassi and
T. E. Simos An optimized explicit
Runge--Kutta--Nyström method for the
numerical solution of orbital and
related periodical initial value
problems . . . . . . . . . . . . . . . . 470--479
C. Espejo and
T. Rangel and
Y. Pouillon and
A. H. Romero and
X. Gonze Wannier functions approach to van der
Waals interactions in ABINIT . . . . . . 480--485
Manamohan Prusty and
Jia Ning Leaw and
Shan Shang Chong and
Siew Ann Cheong Stochastic boundary conditions for
grand-canonical-like molecular dynamics
simulations of open systems . . . . . . 486--496
Grady Schofield and
James R. Chelikowsky and
Yousef Saad A spectrum slicing method for the
Kohn--Sham problem . . . . . . . . . . . 497--505
U. D. Jentschura and
E. Lötstedt Numerical calculation of Bessel, Hankel
and Airy functions . . . . . . . . . . . 506--519
A. Gray and
I. Bethune and
R. Kenway and
L. Smith and
M. Guest and
C. Kitchen and
P. Calleja and
A. Korzynski and
S. Rankin and
M. Ashworth and
A. Porter and
I. Todorov and
M. Plummer and
E. Jones and
L. Steenman-Clark and
B. Ralston and
C. Laughton Mapping application performance to HPC
architecture . . . . . . . . . . . . . . 520--529
A. Kopp and
I. Büsching and
R. D. Strauss and
M. S. Potgieter A stochastic differential equation code
for multidimensional Fokker--Planck type
problems . . . . . . . . . . . . . . . . 530--542
S. Ihnatsenka Computation of electron quantum
transport in graphene nanoribbons using
GPU . . . . . . . . . . . . . . . . . . 543--546
Qiao-Hong Sui and
Zhong-Jun Ding and
Rui Jiang and
Wei Huang and
Duo Sun and
Bing-Hong Wang Slow-to-start effect in two-dimensional
traffic flow . . . . . . . . . . . . . . 547--551
Shu-Sen Xie and
Su-Cheol Yi and
Tae In Kwon Fourth-order compact difference and
alternating direction implicit schemes
for telegraph equations . . . . . . . . 552--569
Andrei Bourchtein and
Ludmila Bourchtein A semi-implicit time-splitting scheme
for a regional nonhydrostatic
atmospheric model . . . . . . . . . . . 570--587
Chunye Gong and
Jie Liu and
Haowei Huang and
Zhenghu Gong Particle transport with unstructured
grid on GPU . . . . . . . . . . . . . . 588--593
B. Roostaei and
W. C. Ermler Electric dipole transition moments and
permanent dipole moments for spin-orbit
configuration interaction wave functions 594--599
Ram Jiwari and
Sapna Pandit and
R. C. Mittal Numerical simulation of two-dimensional
sine--Gordon solitons by differential
quadrature method . . . . . . . . . . . 600--616
Jan L. Cie\'sli\'nski and
Boguslaw Ratkiewicz Discrete gradient algorithms of high
order for one-dimensional systems . . . 617--627
Lorenzo Pardini and
Valerio Bellini and
Franca Manghi and
Claudia Ambrosch-Draxl First-principles calculation of X-ray
dichroic spectra within the
full-potential linearized augmented
planewave method: An implementation into
the Wien2k code . . . . . . . . . . . . 628--636
R. Ramis and
K. Eidmann and
J. Meyer-ter-Vehn and
S. Hüller MULTI-fs --- a computer code for
laser-plasma interaction in the
femtosecond regime . . . . . . . . . . . 637--655
Aldée Charbonnier and
Céline Combet and
David Maurin clumpy: a code for $ \gamma $-ray
signals from dark matter structures . . 656--668
I. O. Bespamyatnov and
W. L. Rowan and
K. T. Liao ALCBEAM --- Neutral beam formation and
propagation code for beam-based plasma
diagnostics . . . . . . . . . . . . . . 669--676
Gundra Kondayya and
Alok Shukla A Fortran 90 Hartree--Fock program for
one-dimensional periodic $ \pi
$-conjugated systems using
Pariser--Parr--Pople model . . . . . . . 677--689
David C. Lonie and
Eva Zurek Identifying duplicate crystal
structures: XtalComp, an open-source
solution . . . . . . . . . . . . . . . . 690--697
T. C. Petersen and
S. P. Ringer Local electron tomography using angular
variations of surface tangents: Stomo
version 2 . . . . . . . . . . . . . . . 698--704
A. Babaev and
Yu. L. Pivovarov Resonant coherent excitation of
hydrogen-like ions planar channeled in a
crystal: Transition into the first
excited state . . . . . . . . . . . . . 705--710
Dean Lambert and
Alasdair C. Hamilton and
George Constable and
Harsh Snehanshu and
Sharvil Talati and
Johannes Courtial TIM, a ray-tracing program for METATOY
research and its dissemination . . . . . 711--732
A. V. Nikitin An efficient code for calculation of the
6$C$, 9$C$ and 12$C$ symbols for $
C_{3v} $, $ T_d $, and $ O_h $ point
groups . . . . . . . . . . . . . . . . . 733--736
Bruno Juliá-Díaz and
Tobias Graß Strongdeco: Expansion of analytical,
strongly correlated quantum states into
a many-body basis . . . . . . . . . . . 737--745
Mikolaj Chojnacki and
Adam Kisiel and
Wojciech Florkowski and
Wojciech Broniowski THERMINATOR 2: THERMal heavy I o N gener
ATOR 2 . . . . . . . . . . . . . . . . . 746--773
Debottam Das and
Ulrich Ellwanger and
Ana M. Teixeira NMSDECAY: a Fortran code for
supersymmetric particle decays in the
Next-to-Minimal Supersymmetric Standard
Model . . . . . . . . . . . . . . . . . 774--779
Thomas Fischbacher Numerical tools to validate stationary
points of $ {\rm SO}(8) $-gauged $ N = 8
$, $ D = 4 $ supergravity . . . . . . . 780--784
B. C. Allanach and
C. H. Kom and
M. Hanussek Computation of neutrino masses in
$R$-parity violating supersymmetry:
SOFTSUSY3.2 . . . . . . . . . . . . . . 785--793
Amparo Gil and
Javier Segura and
Nico M. Temme An improved algorithm and a Fortran 90
module for computing the conical
function $ p^m_{1 / 2 + i \tau }(x) $ 794--799
Tomasz Dziubak and
Jacek Matulewski An object-oriented implementation of a
solver of the time-dependent Schrödinger
equation using the CUDA technology . . . 800--812
Stefan Weinzierl The SISCone jet algorithm optimised for
low particle multiplicities . . . . . . 813--820
N. Davidson and
G. Nanava and
T. Przedzi\'nski and
E. Richter-W\kas and
Z. W\kas Universal interface of TAUOLA: Technical
and physics documentation . . . . . . . 821--843
Evgeny Z. Liverts and
Nir Barnea $S$-states of helium-like ions . . . . . 844--845
Daniel Ma\^\itre Extension of HPL to complex arguments 846--846
Anonymous Editorial Board . . . . . . . . . . . . ??
Juraci P. Reis and
Artur F. Menezes and
Edmilson M. Souza and
Alessandro Facure and
Jose A. C. C. Medeiros and
Ademir X. Silva Dose optimization in $^{125I}$ permanent
prostate seed implants using the Monte
Carlo method . . . . . . . . . . . . . . 847--852
C. Bonati and
G. Cossu and
M. D'Elia and
P. Incardona QCD simulations with staggered fermions
on GPUs . . . . . . . . . . . . . . . . 853--863
Francisco de la Hoz and
Fernando Vadillo Numerical simulation of the
$N$-dimensional sine--Gordon equation
via operational matrices . . . . . . . . 864--879
Mathias Winkel and
Robert Speck and
Helge Hübner and
Lukas Arnold and
Rolf Krause and
Paul Gibbon A massively parallel, multi-disciplinary
Barnes--Hut tree code for extreme-scale
$N$-body simulations . . . . . . . . . . 880--889
Nathan Schmid and
Clara D. Christ and
Markus Christen and
Andreas P. Eichenberger and
Wilfred F. van Gunsteren Architecture, implementation and
parallelisation of the GROMOS software
for biomolecular simulation . . . . . . 890--903
Cristóbal Bertoglio and
Boris N. Khoromskij Low-rank quadrature-based tensor
approximation of the Galerkin projected
Newton/Yukawa kernels . . . . . . . . . 904--912
Feng-Gong Lang and
Xiao-Ping Xu Quintic B-spline collocation method for
second order mixed boundary value
problem . . . . . . . . . . . . . . . . 913--921
F. Merz and
C. Kowitz and
E. Romero and
J. E. Roman and
F. Jenko Multi-dimensional gyrokinetic parameter
studies based on eigenvalue computations 922--930
V. Ogarko and
S. Luding A fast multilevel algorithm for contact
detection of arbitrarily polydisperse
objects . . . . . . . . . . . . . . . . 931--936
S. Kucherenko and
S. Tarantola and
P. Annoni Estimation of global sensitivity indices
for models with dependent variables . . 937--946
J. Seebacher and
A. Kendl Towards a unified linear kinetic
transport model with the trace ion
module for EIRENE . . . . . . . . . . . 947--959
A. Buckley and
A. Shilton and
M. J. White Fast supersymmetry phenomenology at the
Large Hadron Collider using machine
learning techniques . . . . . . . . . . 960--970
M. Fitzgerald and
J. Khachan A $2$-D PIC/MC/Vlasov method for
electrostatic fusion discharges . . . . 971--979
Eiji Tsuchida and
Yoong-Kee Choe Iterative diagonalization of symmetric
matrices in mixed precision and its
application to electronic structure
calculations . . . . . . . . . . . . . . 980--985
Christian Ringl and
Herbert M. Urbassek A LAMMPS implementation of granular
mechanics: Inclusion of adhesive and
microscopic friction forces . . . . . . 986--992
C. A. Duarte Compact expressions for the
magnetoresistance and the electron/hole
density of states under the application
of magnetic fields . . . . . . . . . . . 993--997
Yueh-Cheng Kuo and
Shih-Feng Shieh and
Weichung Wang Rotational quotient procedure: a
tracking control continuation method for
PDEs on radially symmetric domains . . . 998--1001
M. Hirai and
S. Kumano Numerical solution of $ Q^2 $ evolution
equations for fragmentation functions 1002--1013
Shigeru Odaka and
Yoshimasa Kurihara GR@PPA 2.8: Initial-state jet matching
for weak-boson production processes at
hadron collisions . . . . . . . . . . . 1014--1028
R. J. Casperson IBAR: Interacting boson model
calculations for large system sizes . . 1029--1035
M. Kachelrieß and
S. Ostapchenko and
R. Tom\`as ELMAG: a Monte Carlo simulation of
electromagnetic cascades on the
extragalactic background light and in
magnetic fields . . . . . . . . . . . . 1036--1043
K. T. Vu and
G. F. Jefferson and
J. Carminati Finding higher symmetries of
differential equations using the Maple
package DESOLVII . . . . . . . . . . . . 1044--1054
I. V. Grossu and
C. Besliu and
Al. Jipa and
E. Stan and
T. Esanu and
D. Felea and
C. C. Bordeianu Code C# for chaos analysis of
relativistic many-body systems with
reactions . . . . . . . . . . . . . . . 1055--1059
Tobias Huber and
Daniel Ma\^\itre HypExp 2, expanding hypergeometric
functions about half-integer parameters 1060--1060
Anonymous Editorial Board . . . . . . . . . . . . ??
Stefano Tarantola and
William Becker and
Dirk Zeitz A comparison of two sampling methods for
global sensitivity analysis . . . . . . 1061--1072
Omar Awile and
Ferit Büyükkeçeci and
Sylvain Reboux and
Ivo F. Sbalzarini Fast neighbor lists for
adaptive-resolution particle simulations 1073--1081
Yiqiang Xu and
Luming Zhang Alternating direction implicit method
for solving two-dimensional cubic
nonlinear Schrödinger equation . . . . . 1082--1093
Takayuki Umeda and
Yasuhiro Nariyuki and
Daichi Kariya A non-oscillatory and conservative
semi-Lagrangian scheme with
fourth-degree polynomial interpolation
for solving the Vlasov equation . . . . 1094--1100
Omar Ramadan Unified matrix-exponential FDTD
formulations for modeling electrically
and magnetically dispersive materials 1101--1106
A. Bierwage and
C. Di Troia and
S. Briguglio and
G. Vlad Orbit-based representation of
equilibrium distribution functions for
low-noise initialization of kinetic
simulations of toroidal plasmas . . . . 1107--1123
Tomoyoshi Shimobaba and
Jiantong Weng and
Takahiro Sakurai and
Naohisa Okada and
Takashi Nishitsuji and
Naoki Takada and
Atsushi Shiraki and
Nobuyuki Masuda and
Tomoyoshi Ito Computational wave optics library for
C++: CWO++ library . . . . . . . . . . . 1124--1138
C. Voglis and
K. E. Parsopoulos and
D. G. Papageorgiou and
I. E. Lagaris and
M. N. Vrahatis MEMPSODE: a global optimization software
based on hybridization of
population-based algorithms and local
searches . . . . . . . . . . . . . . . . 1139--1154
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Editorial Board . . . . . . . . . . . . ??
Yukihiro Komura and
Yutaka Okabe GPU-based Swendsen--Wang multi-cluster
algorithm for the simulation of
two-dimensional classical spin systems 1155--1161
Wanjie Xiong and
Fan Zhong and
Shuangli Fan Positive specific-heat critical exponent
of a three-dimensional three-state
random-bond Potts model . . . . . . . . 1162--1171
Fengshun Lu and
Junqiang Song and
Fukang Yin and
Xiaoqian Zhu Performance evaluation of hybrid
programming patterns for large CPU/GPU
heterogeneous clusters . . . . . . . . . 1172--1181
D. Melazzi and
D. Curreli and
M. Manente and
J. Carlsson and
D. Pavarin SPIREs: a Finite-Difference
Frequency-Domain electromagnetic solver
for inhomogeneous magnetized plasma
cylinders . . . . . . . . . . . . . . . 1182--1191
Xingang Ren and
Zhixiang Huang and
Xianliang Wu and
Silong Lu and
Hui Wang and
Lei Wu and
Shen Li High-order unified symplectic FDTD
scheme for the metamaterials . . . . . . 1192--1200
Céline Degrande and
Claude Duhr and
Benjamin Fuks and
David Grellscheid and
Olivier Mattelaer and
Thomas Reiter UFO --- the Universal FeynRules Output 1201--1214
C. Alexandrou and
K. Hadjiyiannakou and
G. Koutsou and
A. O'Cais and
A. Strelchenko Evaluation of fermion loops applied to
the calculation of the $ \eta ' $ mass
and the nucleon scalar and
electromagnetic form factors . . . . . . 1215--1224
K.-M. Lin and
C.-T. Hung and
F.-N. Hwang and
M. R. Smith and
Y.-W. Yang and
J.-S. Wu Development of a parallel semi-implicit
two-dimensional plasma fluid modeling
code using finite-volume method . . . . 1225--1236
Janis Timoshenko and
Alexei Kuzmin and
Juris Purans Reverse Monte Carlo modeling of thermal
disorder in crystalline materials from
EXAFS spectra . . . . . . . . . . . . . 1237--1245
Michaël Magoga and
Fabien Archambault and
Jorge I. Cerdá Nt\_STM: a step forward in Scanning
Tunneling Microscopy (STM) simulations 1246--1249
Wei Shi and
Xinyuan Wu On symplectic and symmetric ARKN methods 1250--1258
Reza Mokhtari and
Majid Mohseni A meshless method for solving mKdV
equation . . . . . . . . . . . . . . . . 1259--1268
Jack Deslippe and
Georgy Samsonidze and
David A. Strubbe and
Manish Jain and
Marvin L. Cohen and
Steven G. Louie BerkeleyGW: a massively parallel
computer package for the calculation of
the quasiparticle and optical properties
of materials and nanostructures . . . . 1269--1289
Markus Q. Huber and
Jens Braun Algorithmic derivation of functional
renormalization group equations and
Dyson--Schwinger equations . . . . . . . 1290--1320
Albert Deuzeman and
Siebren Reker and
Carsten Urbach and
ETM Collaboration Lemon: An MPI parallel I/O library for
data encapsulation using LIME . . . . . 1321--1335
Simon Catterall and
Anosh Joseph An object oriented code for simulating
supersymmetric Yang--Mills theories . . 1336--1353
P. Jakubczyk and
A. Wal and
D. Jakubczyk and
T. Lulek Computer implementation of the
Kerov--Kirillov--Reshetikhin algorithm 1354--1362
H. P. Nilles and
S. Ramos-Sánchez and
P. K. S. Vaudrevange and
A. Wingerter The orbifolder: a tool to study the
low-energy effective theory of heterotic
orbifolds . . . . . . . . . . . . . . . 1363--1380
András Vukics C++QEDv2: The multi-array concept and
compile-time algorithms in the
definition of composite quantum systems 1381--1396
A. Deveikis A computer program for two-particle
intrinsic coefficients of fractional
parentage . . . . . . . . . . . . . . . 1397--1401
Anonymous Editorial Board . . . . . . . . . . . . ??
François Fillion-Gourdeau and
Emmanuel Lorin and
André D. Bandrauk Numerical solution of the time-dependent
Dirac equation in coordinate space
without fermion-doubling . . . . . . . . 1403--1415
M. Bernaschi and
M. Fatica and
G. Parisi and
L. Parisi Multi-GPU codes for spin systems
simulations . . . . . . . . . . . . . . 1416--1421
M. Hutchinson and
M. Widom VASP on a GPU: Application to
exact-exchange calculations of the
stability of elemental boron . . . . . . 1422--1426
Haokai Lu and
Peng Li Stochastic projective methods for
simulating stiff chemical reacting
systems . . . . . . . . . . . . . . . . 1427--1442
Andreas Mayer and
Hanna Salopaasi and
Katariina Pussi and
Renee D. Diehl A novel method for the extraction of
intensity-energy spectra from low-energy
electron diffraction patterns . . . . . 1443--1447
I. Akushevich and
O. F. Filoti and
A. Ilyichev and
N. Shumeiko Monte Carlo generator ELRADGEN 2.0 for
simulation of radiative events in
elastic $ e p $-scattering of polarized
particles . . . . . . . . . . . . . . . 1448--1467
J. M. Cherfils and
G. Pinon and
E. Rivoalen JOSEPHINE: a parallel SPH code for
free-surface flows . . . . . . . . . . . 1468--1480
B. Hischenhuber and
F. Frommlet and
W. Schreiner and
B. Knapp MH$^2$ c: Characterization of major
histocompatibility $ \alpha $-helices
--- an information criterion approach 1481--1490
Benjamin Lindner and
Jeremy C. Smith Sassena --- X-ray and neutron scattering
calculated from molecular dynamics
trajectories using massively parallel
computers . . . . . . . . . . . . . . . 1491--1501
C. Schimeczek and
D. Engel and
G. Wunner A highly optimized code for calculating
atomic data at neutron star magnetic
field strengths using a doubly
self-consistent Hartree--Fock--Roothaan
method . . . . . . . . . . . . . . . . . 1502--1510
Luiz C. Mostaço-Guidolin and
Rafael B. Frigori and
Leonid Ruchko and
Ricardo M. O. Galvão SCTE: an open-source Perl framework for
testing equipment control and data
acquisition . . . . . . . . . . . . . . 1511--1518
Feng Feng A recursive method to calculate
UV-divergent parts at one-loop level in
dimensional regularization . . . . . . . 1519--1524
S. Fritzsche The Ratip program for relativistic
calculations of atomic transition,
ionization and recombination properties 1525--1559
Daniel J. Sindhikara Modular reweighting software for
statistical mechanical analysis of
biased equilibrium data . . . . . . . . 1560--1561
Anonymous Editorial Board . . . . . . . . . . . . ??
Andrey Asadchev and
Mark S. Gordon Mixed-precision evaluation of
two-electron integrals by Rys quadrature 1563--1567
Junqi Yin and
D. P. Landau Massively parallel Wang--Landau sampling
on multiple GPUs . . . . . . . . . . . . 1568--1573
Su Do Yi and
Beom Jun Kim Force correlations in molecular and
stochastic dynamics . . . . . . . . . . 1574--1577
Ezequiel E. Ferrero and
Juan Pablo De Francesco and
Nicolás Wolovick and
Sergio A. Cannas $q$-state Potts model metastability
study using optimized GPU-based Monte
Carlo algorithms . . . . . . . . . . . . 1578--1587
Yan Zhao and
Xuesong Li and
Lin Ma Multidimensional Monte Carlo model for
two-photon laser-induced fluorescence
and amplified spontaneous emission . . . 1588--1595
K. C. Tseng and
T. C. Kuo and
S. C. Lin and
C. C. Su and
J. S. Wu Simulations of subsonic vortex-shedding
flow past a $2$D vertical plate in the
near-continuum regime by the
parallelized DSMC code . . . . . . . . . 1596--1608
Liquan Mei and
Yaping Chen Numerical solutions of RLW equation
using Galerkin method with extrapolation
techniques . . . . . . . . . . . . . . . 1609--1616
R.-L. Jiang and
C. Fang and
P.-F. Chen A new MHD code with adaptive mesh
refinement and parallelization for
astrophysics . . . . . . . . . . . . . . 1617--1633
Adnane Hamiaz and
Rudy Klein and
Xavier Ferrieres and
Olivier Pascal and
Jean-Pierre Boeuf and
Jean-Rene Poirier Finite Volume Time Domain modelling of
microwave breakdown and plasma formation
in a metallic aperture . . . . . . . . . 1634--1640
Andrea Colagrossi and
B. Bouscasse and
M. Antuono and
S. Marrone Particle packing algorithm for SPH
schemes . . . . . . . . . . . . . . . . 1641--1653
Hanz Y. Ramírez and
Alejandro Santana Two interacting electrons confined in a
$3$D parabolic cylindrically symmetric
potential, in presence of axial magnetic
field: a finite element approach . . . . 1654--1657
Xi Chen and
Z. J. Ding Solving extra-high-order Rubik's Cube
problem by a dynamic simulated annealing 1658--1663
Nobuko Ohba and
Shuji Ogata and
Takahisa Kouno and
Tomoyuki Tamura and
Ryo Kobayashi Linear scaling algorithm of real-space
density functional theory of electrons
with correlated overlapping domains . . 1664--1673
Edoardo Di Napoli and
Stefan Blügel and
Paolo Bientinesi Correlations in sequences of generalized
eigenproblems arising in Density
Functional Theory . . . . . . . . . . . 1674--1682
Georgios Kalantzis and
Dimitrios Emfietzoglou and
Panagiotis Hadjidoukas A unified spatio-temporal
parallelization framework for
accelerated Monte Carlo radiobiological
modeling of electron tracks and
subsequent radiation chemistry . . . . . 1683--1695
Asimina Maniopoulou and
Erlend R. M. Davidson and
Ricardo Grau-Crespo and
Aron Walsh and
Ian J. Bush and
C. Richard A. Catlow and
Scott M. Woodley Introducing $k$-point parallelism into
VASP . . . . . . . . . . . . . . . . . . 1696--1701
B. Pekmen and
M. Tezer-Sezgin Differential quadrature solution of
nonlinear Klein--Gordon and sine--Gordon
equations . . . . . . . . . . . . . . . 1702--1713
Isaac Gabriel Salib and
Shimon Haber Is the cutoff radius in DPD simulations
with a fluid of constant density
arbitrary? . . . . . . . . . . . . . . . 1714--1718
J. A. Heikkinen and
T. Korpilo and
S. J. Janhunen and
T. P. Kiviniemi and
S. Leerink and
F. Ogando Interpolation for momentum conservation
in $3$D toroidal gyrokinetic particle
simulation of plasmas . . . . . . . . . 1719--1727
Pengfei Wei and
Zhenzhou Lu and
Wenrui Hao and
Jun Feng and
Bintuan Wang Efficient sampling methods for global
reliability sensitivity analysis . . . . 1728--1743
Gary Yuan and
François Gygi A distributed approach to verification
and validation of electronic structure
simulation data using ESTEST . . . . . . 1744--1748
Gui-Yang Huang and
Chong-Yu Wang and
Jian-Tao Wang Detailed check of the $ L D A + U $ and
$ G G A + U $ corrected method for
defect calculations in wurtzite ZnO . . 1749--1752
Elena Eremina and
Yuri Eremin and
Natalia Grishina and
Thomas Wriedt New scheme of the Discrete Sources
Method for investigation of a near field
enhancement by coupled particles . . . . 1753--1759
J. R. Johansson and
P. D. Nation and
Franco Nori QuTiP: an open-source Python framework
for the dynamics of open quantum systems 1760--1772
A. Jablonski An effective algorithm for calculating
the Chandrasekhar function . . . . . . . 1773--1782
Moti Umansky and
Daphne Weihs Novel algorithm and MATLAB-based program
for automated power law analysis of
single particle, time-dependent
mean-square displacement . . . . . . . . 1783--1792
Carsten Svaneborg LAMMPS framework for dynamic bonding and
an application modeling DNA . . . . . . 1793--1802
Jingjing Zheng and
Steven L. Mielke and
Kenneth L. Clarkson and
Donald G. Truhlar MSTor: a program for calculating
partition functions, free energies,
enthalpies, entropies, and heat
capacities of complex molecules
including torsional anharmonicity . . . 1803--1812
T. Pálmai Regularization of multi-soliton form
factors in sine--Gordon model . . . . . 1813--1821
A. Arbey AlterBBN: a program for calculating the
BBN abundances of the elements in
alternative cosmologies . . . . . . . . 1822--1831
M. F. Ciappina and
T. Kirchner SymbMat: Symbolic computation of quantum
transition matrix elements . . . . . . . 1832--1840
Russell M. Pitzer Atomic self-consistent-field program by
the basis set expansion method: Columbus
version . . . . . . . . . . . . . . . . 1841--1842
Christian Clason and
Gregory von Winckel A general spectral method for the
numerical simulation of one-dimensional
interacting fermions . . . . . . . . . . 1843--1844
Anonymous Editorial Board . . . . . . . . . . . . ??
Barbara Schmidt and
Matthias Steinhauser CRunDec: a C++ package for running and
decoupling of the strong coupling and
quark masses . . . . . . . . . . . . . . 1845--1848
Wanxiang Feng and
Jun Wen and
Jinjian Zhou and
Di Xiao and
Yugui Yao First-principles calculation of $ Z_2 $
topological invariants within the
FP--LAPW formalism . . . . . . . . . . . 1849--1859
Luigi Brugnano and
Felice Iavernaro and
Donato Trigiante A two-step, fourth-order method with
energy preserving properties . . . . . . 1860--1868
Elizabeth Williams and
James Tickner Efficient Monte Carlo simulation of
coincidence effects in radioisotope
decays including $ \gamma $--$ \gamma $
angular correlations . . . . . . . . . . 1869--1876
J. L. Velasco and
A. Bustos and
F. Castejón and
L. A. Fernández and
V. Martin-Mayor and
A. Tarancón ISDEP: Integrator of stochastic
differential equations for plasmas . . . 1877--1883
T. Siro and
A. Harju Exact diagonalization of the Hubbard
model on graphics processing units . . . 1884--1889
Saeed Ovaysi and
Mohammad Piri Multi-GPU acceleration of direct
pore-scale modeling of fluid flow in
natural porous media . . . . . . . . . . 1890--1898
Tomasz M. Gwizdalla The hybrid algorithm for the study of
geometric configurations of $2$D
clusters of uniformly charged classical
particles . . . . . . . . . . . . . . . 1899--1903
Alberto Talamo and
Zhaopeng Zhong and
Yousry Gohar Monte Carlo and deterministic
calculation of the Bell and Glasstone
spatial correction factor . . . . . . . 1904--1910
K. Jorissen and
F. D. Vila and
J. J. Rehr A high performance scientific cloud
computing environment for materials
simulations . . . . . . . . . . . . . . 1911--1919
Ydalia Delgado Mercado and
Hans Gerd Evertz and
Christof Gattringer Worm algorithms for the 3-state Potts
model with magnetic field and chemical
potential . . . . . . . . . . . . . . . 1920--1927
André Barka and
Nicolas Douchin Asymptotic simplifications for hybrid
BEM/GO/PO/PTD techniques based on a
Generalized Scattering Matrix approach 1928--1936
S. Tabik and
L. F. Romero and
P. Mimica and
O. Plata and
E. L. Zapata VLBI-resolution radio-map algorithms:
Performance analysis of different levels
of data-sharing on multi-socket,
multi-core architectures . . . . . . . . 1937--1946
Enying Li and
Hu Wang and
Guangyao Li High dimensional model representation
(HDMR) coupled intelligent sampling
strategy for nonlinear problems . . . . 1947--1955
Haochen Li and
Jianqiang Sun A new multi-symplectic scheme for the
generalized Kadomtsev--Petviashvili
equation . . . . . . . . . . . . . . . . 1956--1965
M. Gherardi and
T. Jourdan and
S. Le Bourdiec and
G. Bencteux Hybrid deterministic/stochastic
algorithm for large sets of rate
equations . . . . . . . . . . . . . . . 1966--1973
S. Dalena and
P. Chuychai and
R. L. Mace and
A. Greco and
G. Qin and
W. H. Matthaeus Streamline generation code for particle
dynamics description in numerical models
of turbulence . . . . . . . . . . . . . 1974--1985
S. Maeyama and
A. Ishizawa and
T.-H. Watanabe and
N. Nakajima and
S. Tsuji-Iio and
H. Tsutsui A hybrid method of semi-Lagrangian and
additive semi-implicit Runge--Kutta
schemes for gyrokinetic Vlasov
simulations . . . . . . . . . . . . . . 1986--1992
Waseem Kamleh and
Mike Peardon Polynomial filtered HMC --- an algorithm
for lattice QCD with dynamical quarks 1993--2000
Evandro F. da Silva and
Mário J. de Oliveira Two versions of the threshold contact
model in two dimensions . . . . . . . . 2001--2005
Carroll L. Wainwright CosmoTransitions: Computing cosmological
phase transition temperatures and bubble
profiles with multiple fields . . . . . 2006--2013
Timothy J. McIntyre and
Alexis I. Bishop Fringe --- a Java-based finite fringe
analysis package . . . . . . . . . . . . 2014--2018
J. Avellar and
L. G. S. Duarte and
L. A. C. P. da Mota and
N. de Melo and
J. E. F. Skea The Ndynamics package --- Numerical
analysis of dynamical systems and the
fractal dimension of boundaries . . . . 2019--2020
Dusan Vudragovi\'c and
Ivana Vidanovi\'c and
Antun Balaz and
Paulsamy Muruganandam and
Sadhan K. Adhikari C programs for solving the
time-dependent Gross--Pitaevskii
equation in a fully anisotropic trap . . 2021--2025
Anonymous Editorial Board . . . . . . . . . . . . ??
Masaharu Matsumoto and
Yoshihiro Kajimura and
Hideyuki Usui and
Ikkoh Funaki and
Iku Shinohara Application of a total variation
diminishing scheme to electromagnetic
hybrid particle-in-cell plasma
simulation . . . . . . . . . . . . . . . 2027--2034
N. Dubray and
D. Regnier Numerical search of discontinuities in
self-consistent potential energy
surfaces . . . . . . . . . . . . . . . . 2035--2041
D. Vigan\`o and
J. A. Pons and
J. A. Miralles A new code for the Hall-driven magnetic
evolution of neutron stars . . . . . . . 2042--2053
Kevin B. Daly and
Jay B. Benziger and
Pablo G. Debenedetti and
Athanassios Z. Panagiotopoulos Massively parallel chemical potential
calculation on graphics processing units 2054--2062
Yanchao Wang and
Jian Lv and
Li Zhu and
Yanming Ma CALYPSO: a method for crystal structure
prediction . . . . . . . . . . . . . . . 2063--2070
Cathal Ó Broin and
L. A. A. Nikolopoulos An OpenCL implementation for the
solution of the time-dependent
Schrödinger equation on GPUs and CPUs . . 2071--2080
Bokui Chen and
Chuanfei Dong and
Yike Liu and
Wei Tong and
Wenyao Zhang and
Jie Liu and
Binghong Wang Real-time information feedback based on
a sharp decay weighted function . . . . 2081--2088
Alejandro León An efficient model for studying the
dynamics of frustrated systems . . . . . 2089--2097
Ram K. Pandey and
Om P. Singh and
Vipul K. Baranwal and
Manoj P. Tripathi An analytic solution for the space--time
fractional advection-dispersion equation
using the optimal homotopy asymptotic
method . . . . . . . . . . . . . . . . . 2098--2106
Hyun Geun Lee and
Junseok Kim An efficient and accurate numerical
algorithm for the vector-valued
Allen--Cahn equations . . . . . . . . . 2107--2115
H. Kohno and
J. R. Myra and
D. A. D'Ippolito A finite element procedure for
radio-frequency sheath-plasma
interactions in the ion cyclotron range
of frequencies . . . . . . . . . . . . . 2116--2127
Alexei Deinega and
Sajeev John Finite difference discretization of
semiconductor drift-diffusion equations
for nanowire solar cells . . . . . . . . 2128--2135
F. Yuasa and
E. de Doncker and
N. Hamaguchi and
T. Ishikawa and
K. Kato and
Y. Kurihara and
J. Fujimoto and
Y. Shimizu Numerical computation of two-loop box
diagrams with masses . . . . . . . . . . 2136--2144
Bernd A. Berg and
Hao Wu Fortran code for $ {\rm SU}(3) $ lattice
gauge theory with and without MPI
checkerboard parallelization . . . . . . 2145--2157
Feng Feng \$Apart: a generalized {Mathematica}
{{\tt Apart}} function . . . . . . . . . 2158--2164
Florian Staub and
Thorsten Ohl and
Werner Porod and
Christian Speckner A tool box for implementing
supersymmetric models . . . . . . . . . 2165--2206
Lutz Foucar and
Anton Barty and
Nicola Coppola and
Robert Hartmann and
Peter Holl and
Uwe Hoppe and
Stephan Kassemeyer and
Nils Kimmel and
Jochen Küpper and
Mirko Scholz and
Simone Techert and
Thomas A. White and
Lothar Strüder and
Joachim Ullrich CASS--CFEL--ASG software suite . . . . . 2207--2213
Alfonso García-Parrado Gómez-Lobo and
José M. Martín-García Spinors: a Mathematica package for doing
spinor calculus in General Relativity 2214--2225
Gonzalo Alvarez Implementation of the $ {\rm SU}(2) $
Hamiltonian symmetry for the DMRG
algorithm . . . . . . . . . . . . . . . 2226--2232
Victor Liu and
Shanhui Fan $ S^4 $: a free electromagnetic solver
for layered periodic structures . . . . 2233--2244
A. Buraczewski and
M. Stobi\'nska Numerical model for macroscopic quantum
superpositions based on phase-covariant
quantum cloning . . . . . . . . . . . . 2245--2253
Priscila de Aquino and
William Link and
Fabio Maltoni and
Olivier Mattelaer and
Tim Stelzer ALOHA: Automatic libraries of helicity
amplitudes for Feynman diagram
computations . . . . . . . . . . . . . . 2254--2263
Piotr Magierski and
Gabriel Wlazlowski LINPRO: Linear inverse problem library
for data contaminated by statistical
noise . . . . . . . . . . . . . . . . . 2264--2271
Miguel A. L. Marques and
Micael J. T. Oliveira and
Tobias Burnus Libxc: a library of exchange and
correlation functionals for density
functional theory . . . . . . . . . . . 2272--2281
Daniel Kuchelmeister and
Thomas Müller and
Marco Ament and
Günter Wunner and
Daniel Weiskopf GPU-based four-dimensional
general-relativistic ray tracing . . . . 2282--2290
Amna Noreen and
Kåre Olaussen High precision series solutions of
differential equations: Ordinary and
regular singular points of second order
ODEs . . . . . . . . . . . . . . . . . . 2291--2297
Renato M. Fonseca Calculating the renormalisation group
equations of a SUSY model with Susyno 2298--2306
H. Hluchá and
H. Eberl and
W. Frisch SFOLD --- a program package for
calculating two-body sfermion decays at
full one-loop level in the MSSM . . . . 2307--2312
J. Avellar and
L. G. S. Duarte and
L. A. C. P. da Mota PSsolver: a Maple implementation to
solve first order ordinary differential
equations with Liouvillian solutions . . 2313--2314
Anonymous Editorial Board . . . . . . . . . . . . ??
Tarik Hadzibeganovic and
F. Welington S. Lima and
Dietrich Stauffer Evolution of tag-mediated altruistic
behavior in one-shot encounters on
large-scale complex networks . . . . . . 2315--2321
M. Arioli and
S. Gratton Linear regression models, least-squares
problems, normal equations, and stopping
criteria for the conjugate gradient
method . . . . . . . . . . . . . . . . . 2322--2336
T. V. S. Sekhar and
B. Hema Sundar Raju An efficient higher order compact scheme
to capture heat transfer solutions in
spherical geometry . . . . . . . . . . . 2337--2345
P. J. Knight and
A. Thyagaraja and
T. D. Edwards and
J. Hein and
M. Romanelli and
K. G. McClements CENTORI: a global toroidal
electromagnetic two-fluid plasma
turbulence code . . . . . . . . . . . . 2346--2363
Ki-Hwan Kim and
Q-Han Park Overlapping computation and
communication of three-dimensional FDTD
on a GPU cluster . . . . . . . . . . . . 2364--2369
Alan R. Levin and
Deyin Zhang and
Eric Polizzi FEAST fundamental framework for
electronic structure calculations:
Reformulation and solution of the
muffin-tin problem . . . . . . . . . . . 2370--2375
Shin-ichi Satake and
Hajime Yoshimori and
Takayuki Suzuki Optimizations of a GPU accelerated heat
conduction equation by a programming of
CUDA Fortran from an analysis of a PTX
file . . . . . . . . . . . . . . . . . . 2376--2385
Fernando Casas and
Ander Murua and
Mladen Nadinic Efficient computation of the Zassenhaus
formula . . . . . . . . . . . . . . . . 2386--2391
V. Khoromskaia and
D. Andrae and
B. N. Khoromskij Fast and accurate $3$D tensor
calculation of the Fock operator in a
general basis . . . . . . . . . . . . . 2392--2404
M. Joulaian and
A. Pishevar and
S. Khajepor and
F. Schmid and
Y. Afshar A new algorithm for simulating flows of
conducting fluids in the presence of
electric fields . . . . . . . . . . . . 2405--2412
Ram Jiwari A Haar wavelet quasilinearization
approach for numerical simulation of
Burgers' equation . . . . . . . . . . . 2413--2423
Tiziano Leidi and
Giulio Scocchi and
Loris Grossi and
Simone Pusterla and
Claudio D'Angelo and
Jean-Philippe Thiran and
Alberto Ortona Computing effective properties of random
heterogeneous materials on heterogeneous
parallel processors . . . . . . . . . . 2424--2433
Frederick Ira Moxley III and
Tim Byrnes and
Fumitaka Fujiwara and
Weizhong Dai A generalized finite-difference
time-domain quantum method for the
$N$-body interacting Hamiltonian . . . . 2434--2440
Markus Q. Huber and
Mario Mitter CrasyDSE: a framework for solving
Dyson--Schwinger equations . . . . . . . 2441--2457
W. Porod and
F. Staub SPheno 3.1: extensions including
flavour, CP-phases and models beyond the
MSSM . . . . . . . . . . . . . . . . . . 2458--2469
A. A. Azooz and
S. H. Al-Nia'emi and
M. A. Al-Jubbori A parameterization of nuclear track
profiles in CR-39 detector . . . . . . . 2470--2479
Anton Nazarov \tt Affine.m --- Mathematica package for
computations in representation theory of
finite-dimensional and affine Lie
algebras . . . . . . . . . . . . . . . . 2480--2493
Ján Busa, Jr. and
Shura Hayryan and
Ming-Chya Wu and
Ján Busa and
Chin-Kun Hu ARVO-CL: the OpenCL version of the ARVO
package --- An efficient tool for
computing the accessible surface area
and the excluded volume of proteins via
analytical equations . . . . . . . . . . 2494--2497
Anonymous Editorial Board . . . . . . . . . . . . ??
Beatrice Paternoster Present state-of-the-art in exponential
fitting. A contribution dedicated to
Liviu Ixaru on his 70th birthday . . . . 2499--2512
Liang Chen and
Cheng Lv and
Xunya Jiang A re-formulation of the transfer matrix
method for calculating wave-functions in
higher dimensional disordered open
systems . . . . . . . . . . . . . . . . 2513--2518
V. V. Karasiev and
S. B. Trickey Issues and challenges in orbital-free
density functional calculations . . . . 2519--2527
Marcelo Fiori and
J. E. Miraglia New approach for approximating the
continuum wave function by Gaussian
basis set . . . . . . . . . . . . . . . 2528--2534
Suzanne Varet and
Sidonie Lefebvre and
Gérard Durand and
Antoine Roblin and
Serge Cohen Effective discrepancy and numerical
experiments . . . . . . . . . . . . . . 2535--2541
C. S. Bresolin and
A. A. M. Oliveira An algorithm based on collision theory
for the lattice Boltzmann simulation of
isothermal mass diffusion with chemical
reaction . . . . . . . . . . . . . . . . 2542--2549
K.-M. Lin and
M.-H. Hu and
C.-T. Hung and
J.-S. Wu and
F.-N. Hwang and
Y.-S. Chen and
G. Cheng A parallel hybrid numerical algorithm
for simulating gas flow and gas
discharge of an atmospheric-pressure
plasma jet . . . . . . . . . . . . . . . 2550--2560
Gabriel Voitcu and
Marius Echim and
Richard Marchand Comparative study of forward and
backward test-kinetic simulation
approaches . . . . . . . . . . . . . . . 2561--2569
M. Antuono and
A. Colagrossi and
S. Marrone Numerical diffusive terms in
weakly-compressible SPH schemes . . . . 2570--2580
Alejandro Soba and
Edgar Alejandro Bea and
Guillaume Houzeaux and
Hadrien Calmet and
José María Cela Real-space density functional theory and
time dependent density functional theory
using finite/infinite element methods 2581--2588
E. Hirvijoki and
A. Snicker and
T. Korpilo and
P. Lauber and
E. Poli and
M. Schneller and
T. Kurki-Suonio Alfvén eigenmodes and neoclassical
tearing modes for orbit-following
implementations . . . . . . . . . . . . 2589--2593
Santos B. Yuste and
Joaquín Quintana-Murillo A finite difference method with
non-uniform timesteps for fractional
diffusion equations . . . . . . . . . . 2594--2600
R. Krivec Numerical regularization of Klauder
effect in QLM . . . . . . . . . . . . . 2601--2607
J.-L. Fattebert and
D. F. Richards and
J. N. Glosli Dynamic load balancing algorithm for
molecular dynamics based on Voronoi
cells domain decompositions . . . . . . 2608--2615
Suman Sinha Performance of Wang--Landau algorithm in
lattice model of liquid crystals . . . . 2616--2621
Darko Veberi\vc Lambert $W$ function for applications in
physics . . . . . . . . . . . . . . . . 2622--2628
T. A. Heltemes and
G. A. Moses BADGER v1.0: a Fortran equation of state
library . . . . . . . . . . . . . . . . 2629--2646
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iv--v
Fuyuki Shimojo and
Satoshi Ohmura and
Weiwei Mou and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta Large nonadiabatic quantum molecular
dynamics simulations on parallel
computers . . . . . . . . . . . . . . . 1--8
Weile Jia and
Zongyan Cao and
Long Wang and
Jiyun Fu and
Xuebin Chi and
Weiguo Gao and
Lin-Wang Wang The analysis of a plane wave
pseudopotential density functional
theory code on a GPU machine . . . . . . 9--18
Katherine Baker and
Andrij Baumketner and
Yuchun Lin and
Shaozhong Deng and
Donald Jacobs and
Wei Cai ICSM: an order $N$ method for
calculating electrostatic interactions
added to TINKER . . . . . . . . . . . . 19--26
E. Voyiatzis Mechanical properties and elastic
constants of atomistic systems through
the stress-fluctuation formalism . . . . 27--33
Tarcísio M. Rocha Filho Solving the Vlasov equation for
one-dimensional models with long range
interactions on a GPU . . . . . . . . . 34--39
Yukihiro Komura and
Yutaka Okabe Multi-GPU-based Swendsen--Wang
multi-cluster algorithm for the
simulation of two-dimensional $q$-state
Potts model . . . . . . . . . . . . . . 40--44
Eliseo García and
Lorena Lozano and
Maria-Jesús Algar and
Felipe Cátedra A study of the efficiency of the
parallelization of a high frequency
electromagnetic approach for the
computation of radiation and scattering
considering multiple bounces . . . . . . 45--50
Changfeng Xue and
Shaozhong Deng Coulomb Green's function and image
potential near a planar diffuse
interface, revisited . . . . . . . . . . 51--59
Bin Lin Parametric cubic spline method for the
solution of the nonlinear Schrödinger
equation . . . . . . . . . . . . . . . . 60--65
T. D. Young and
E. Romero and
J. E. Roman Parallel finite element density
functional computations exploiting grid
refinement and subspace recycling . . . 66--72
Liang Li and
Ting-Zhu Huang and
Guang-Hui Cheng and
Yan-Fei Jing and
Zhi-Gang Ren and
Hou-Biao Li Solution to $3$-D electromagnetic
problems discretized by a hybrid FEM/MOM
method . . . . . . . . . . . . . . . . . 73--78
Paolo Greppi and
Elisabetta Arato Efficient computation paths for the
systematic analysis of sensitivities . . 79--85
Dingwen Deng and
Chengjian Zhang A family of new fourth-order solvers for
a nonlinear damped wave equation . . . . 86--101
Yutaka Utsuno and
Noritaka Shimizu and
Takaharu Otsuka and
Takashi Abe Efficient computation of Hamiltonian
matrix elements between non-orthogonal
Slater determinants . . . . . . . . . . 102--108
Andreas Windisch and
Reinhard Alkofer and
Gundolf Haase and
Manfred Liebmann Examining the analytic structure of
Green's functions: Massive parallel
complex integration using GPUs . . . . . 109--116
Takumi Doi and
Michael G. Endres Unified contraction algorithm for
multi-baryon correlators on the lattice 117--123
Nuno Cardoso and
Paulo J. Silva and
Pedro Bicudo and
Orlando Oliveira Landau gauge fixing on GPUs . . . . . . 124--129
Yezhi Lin and
Yinping Liu and
Zhibin Li Symbolic computation of analytic
approximate solutions for nonlinear
fractional differential equations . . . 130--141
Gianluca Col\`o and
Ligang Cao and
Nguyen Van Giai and
Luigi Capelli Self-consistent RPA calculations with
Skyrme-type interactions: the \tt
skyrme\_rpa program . . . . . . . . . . 142--161
J. J. Galiana-Merino and
J. L. Rosa-Herranz and
S. Rosa-Cintas and
J. J. Martinez-Espla SeismicWaveTool: Continuous and discrete
wavelet analysis and filtering for
multichannel seismic data . . . . . . . 162--171
I. I. Gontchar and
M. V. Chushnyakova A C-code for the double folding
interaction potential for reactions
involving deformed target nuclei . . . . 172--182
Alexander P. Bakulev and
Vyacheslav L. Khandramai FAPT: a Mathematica package for
calculations in QCD Fractional Analytic
Perturbation Theory . . . . . . . . . . 183--193
O. Coufal A method for the accurate and smooth
approximation of standard thermodynamic
functions . . . . . . . . . . . . . . . 194--200
Graham R. Dennis and
Joseph J. Hope and
Mattias T. Johnsson XMDS2: Fast, scalable simulation of
coupled stochastic partial differential
equations . . . . . . . . . . . . . . . 201--208
Seth Quackenbush and
Ryan Gavin and
Ye Li and
Frank Petriello $W$ physics at the LHC with FEWZ 2.1 . . 209--214
R. A. Sen'kov and
M. Horoi and
V. G. Zelevinsky A high-performance Fortran code to
calculate spin- and parity-dependent
nuclear level densities . . . . . . . . 215--221
Eric Conte and
Benjamin Fuks and
Guillaume Serret MadAnalysis 5, a user-friendly framework
for collider phenomenology . . . . . . . 222--256
Jaroslaw Adam Miszczak Employing online quantum random number
generators for generating truly random
quantum states in Mathematica . . . . . 257--258
Anonymous Editorial Board . . . . . . . . . . . . ??
J. A. Plascak and
P. H. L. Martins Probability distribution function of the
order parameter: Mixing fields and
universality . . . . . . . . . . . . . . 259--269
Satrajit Adhikari and
António J. C. Varandas The coupled $3$D wave packet approach
for triatomic reactive scattering in
hyperspherical coordinates . . . . . . . 270--283
C. D. Sudheer and
S. Krishnan and
A. Srinivasan and
P. R. C. Kent Dynamic load balancing for petascale
quantum Monte Carlo applications: the
Alias method . . . . . . . . . . . . . . 284--292
O. Sauter and
S. Yu. Medvedev Tokamak coordinate conventions: $ C O C
O S $ . . . . . . . . . . . . . . . . . 293--302
Dongling Wang and
Aiguo Xiao and
Xueyang Li Parametric symplectic partitioned
Runge--Kutta methods with
energy-preserving properties for
Hamiltonian systems . . . . . . . . . . 303--310
Jochen Gerhard and
Volker Lindenstruth and
Marcus Bleicher Relativistic hydrodynamics on graphic
cards . . . . . . . . . . . . . . . . . 311--319
Igor V. Sokolov Alternating-order interpolation in a
charge-conserving scheme for
particle-in-cell simulations . . . . . . 320--328
M. Bernaschi and
M. Bisson and
M. Fatica and
S. Melchionna and
S. Succi Petaflop hydrokinetic simulations of
complex flows on massive GPU clusters 329--341
Jin-Chun Li and
Ping Qian and
Zhen-Feng Zhang and
Ying Liu and
Xiao-Jian Yuan and
Jiang Shen and
Nan-Xian Chen Theoretical study of structure and
lattice vibrations of R$_3$Co$_{11 -
x}$Fe$_x$B$_4$ (R = Nd, Gd) . . . . . . 342--347
Hong Jiang and
Ricardo I. Gómez-Abal and
Xin-Zheng Li and
Christian Meisenbichler and
Claudia Ambrosch-Draxl and
Matthias Scheffler FHI-gap: a $ G W $ code based on the
all-electron augmented plane wave method 348--366
Jun Liu Least square based method for obtaining
one-particle spectral functions from
temperature Green functions . . . . . . 367--373
Scott Le Grand and
Andreas W. Götz and
Ross C. Walker SPFP: Speed without compromise --- a
mixed precision model for GPU
accelerated molecular dynamics
simulations . . . . . . . . . . . . . . 374--380
Zhi Shang Performance analysis of large scale
parallel CFD computing based on
Code\_Saturne . . . . . . . . . . . . . 381--386
Y. Pavlyukh and
J. Berakdar Electron repulsion integrals for
self-energy calculations . . . . . . . . 387--395
Sophia Borowka and
Jonathon Carter and
Gudrun Heinrich Numerical evaluation of multi-loop
integrals for arbitrary kinematics with
SecDec 2.0 . . . . . . . . . . . . . . . 396--408
S. Mickevicius and
D. Germanas and
R. K. Kalinauskas Revised calculation of four-particle
harmonic-oscillator transformation
brackets matrix . . . . . . . . . . . . 409--413
R. Chudoba and
V. Sadílek and
R. Rypl and
M. Vorechovský Using Python for scientific computing:
Efficient and flexible evaluation of the
statistical characteristics of functions
with multivariate random inputs . . . . 414--427
V. B. Zlokazov and
V. K. Utyonkov and
Yu. S. Tsyganov VSHEC --- a program for the automatic
spectrum calibration . . . . . . . . . . 428--431
Mikhail S. Litsarev The DEPOSIT computer code: Calculations
of electron-loss cross-sections for
complex ions colliding with neutral
atoms . . . . . . . . . . . . . . . . . 432--439
A. Jablonski Improved algorithm for calculating the
Chandrasekhar function . . . . . . . . . 440--442
C. Angeli and
R. Cimiraglia Automated evaluation of matrix elements
between contracted wavefunctions: a
Mathematica version of the FRODO program 443--444
Anonymous Editorial Board . . . . . . . . . . . . ??
Rio Yokota and
L. A. Barba and
Tetsu Narumi and
Kenji Yasuoka Petascale turbulence simulation using a
highly parallel fast multipole method on
GPUs . . . . . . . . . . . . . . . . . . 445--455
Simon F. Portegies Zwart and
Stephen L. W. McMillan and
Arjen van Elteren and
F. Inti Pelupessy and
Nathan de Vries Multi-physics simulations using a
hierarchical interchangeable software
interface . . . . . . . . . . . . . . . 456--468
J. Francés and
S. Bleda and
C. Neipp and
A. Márquez and
I. Pascual and
A. Beléndez Performance analysis of the FDTD method
applied to holographic volume gratings:
Multi-core CPU versus GPU computing . . 469--479
Jing Shen and
Wei E. I. Sha and
Zhixiang Huang and
Mingsheng Chen and
Xianliang Wu High-order symplectic FDTD scheme for
solving a time-dependent Schrödinger
equation . . . . . . . . . . . . . . . . 480--492
B.-W. Jeng and
Y.-S. Wang and
C.-S. Chien A two-parameter continuation algorithm
for vortex pinning in rotating
Bose--Einstein condensates . . . . . . . 493--508
Nuno Cardoso and
Pedro Bicudo Generating $ {\rm SU}(N_c) $ pure gauge
lattice QCD configurations on GPUs with
CUDA . . . . . . . . . . . . . . . . . . 509--518
Martin Lüscher and
Stefan Schaefer Lattice QCD with open boundary
conditions and twisted-mass reweighting 519--528
Ali Shokri and
Abbas Ali Shokri The new class of implicit $L$-stable
hybrid Obrechkoff method for the
numerical solution of first order
initial value problems . . . . . . . . . 529--531
Florian De Vuyst and
Francesco Salvarani GPU-accelerated numerical simulations of
the Knudsen gas on time-dependent
domains . . . . . . . . . . . . . . . . 532--536
Marco D. Mazzeo Fast discontinuous Galerkin
lattice-Boltzmann simulations on GPUs
via maximal kernel fusion . . . . . . . 537--549
Hossein Ebadi Bound state calculation of two-component
Klein--Gordon equation with
damped-relaxation technique . . . . . . 550--556
Baoming Tang and
Ehsan Khatami and
Marcos Rigol A short introduction to numerical
linked-cluster expansions . . . . . . . 557--564
Zohreh Asgari and
S. M. Hosseini Numerical solution of two-dimensional
sine-Gordon and MBE models using Fourier
spectral and high order explicit time
stepping methods . . . . . . . . . . . . 565--572
Antonio Brunetti A fast fine-grained genetic algorithm
for spectrum fitting: an application to
X-ray spectra . . . . . . . . . . . . . 573--578
N. Mohankumar and
Ajay Rawat Some comments on the evaluation of the
Chandrasekhar $H$ function . . . . . . . 579--581
K. Parand and
J. A. Rad Kansa method for the solution of a
parabolic equation with an unknown
spacewise-dependent coefficient subject
to an extra measurement . . . . . . . . 582--595
Hai P. Le and
Jean-Luc Cambier and
Lord K. Cole GPU-based flow simulation with detailed
chemical kinetics . . . . . . . . . . . 596--606
D. W. L. Sprung and
M. I. Betti and
W. van Dijk Finite Fourier transforms computed by a
modified Filon--Euler--Maclaurin method 607--616
Jose M. Domínguez and
Alejandro J. C. Crespo and
Moncho Gómez-Gesteira Optimization strategies for CPU and GPU
implementations of a smoothed particle
hydrodynamics method . . . . . . . . . . 617--627
Edan Lerner and
Gustavo Düring and
Matthieu Wyart Simulations of driven overdamped
frictionless hard spheres . . . . . . . 628--637
A. Galonska and
P. Gibbon and
F. Imbeaux and
Y. Frauel and
B. Guillerminet and
G. Manduchi and
F. Wolf and
ITM-TF contributors Parallel universal access layer: a
scalable I/O library for integrated
tokamak modeling . . . . . . . . . . . . 638--646
S. J. Ahmed and
J. Kivinen and
B. Zaporzan and
L. Curiel and
S. Pichardo and
O. Rubel BerryPI: a software for studying
polarization of crystalline solids with
WIEN2k density functional all-electron
package . . . . . . . . . . . . . . . . 647--651
Mohammad Poursina and
Kurt S. Anderson Canonical ensemble simulation of
biopolymers using a coarse-grained
articulated generalized
divide-and-conquer scheme . . . . . . . 652--660
Roberto da Silva and
Mendeli H. Vainstein and
Luis C. Lamb and
Sandra D. Prado A simple non-Markovian computational
model of the statistics of soccer
leagues: Emergence and scaling effects 661--670
G. Lanzafame Implicit integrations for SPH in
semi-Lagrangian approach: Application to
the accretion disc modeling in a
microquasar . . . . . . . . . . . . . . 671--688
Chris Johnson and
A. D. Kennedy Numerical determination of partial
spectrum of Hermitian matrices using a
Lánczos method with selective
reorthogonalization . . . . . . . . . . 689--697
L. Basso and
A. Belyaev and
D. Chowdhury and
M. Hirsch and
S. Khalil and
S. Moretti and
B. O'Leary and
W. Porod and
F. Staub Proposal for generalised supersymmetry
Les Houches Accord for see-saw models
and PDG numbering scheme . . . . . . . . 698--719
M. Alvaro and
E. Cebrián and
M. Carretero and
L. L. Bonilla Numerical methods for kinetic equations
in semiconductor superlattices . . . . . 720--731
Antonio Souto-Iglesias and
Fabricio Maci\`a and
Leo M. González and
Jose L. Cercos-Pita On the consistency of MPS . . . . . . . 732--745
E. Comesaña and
M. Aldegunde and
A. J. Garcia-Loureiro Simulation of the spin polarization and
the charge transport in Zener tunnel
junctions based on ferromagnetic GaAs
and ZnO . . . . . . . . . . . . . . . . 746--756
Dieter Bingemann Statistical identification of structural
rearrangement events in molecular
dynamics trajectories . . . . . . . . . 757--764
HanPing Hu and
LingFeng Liu and
NaiDa Ding Pseudorandom sequence generator based on
the Chen chaotic system . . . . . . . . 765--768
P. J. J. Luukko and
E. Räsänen Imaginary time propagation code for
large-scale two-dimensional eigenvalue
problems in magnetic fields . . . . . . 769--776
G. L. Masala and
B. Golosio and
P. Oliva An improved Marching Cube algorithm for
$3$D data segmentation . . . . . . . . . 777--782
Ashton S. Reimer and
Alexei F. Cheviakov A Matlab-based finite-difference solver
for the Poisson problem with mixed
Dirichlet--Neumann boundary conditions 783--798
Jacek Kobus A finite difference Hartree--Fock
program for atoms and diatomic molecules 799--811
Marco Caliari and
Stefan Rainer GSGPEs: a MATLAB code for computing the
ground state of systems of
Gross--Pitaevskii equations . . . . . . 812--823
J. Broeckhove and
K. Vanmechelen An adaptor for C++ callbacks with C and
Fortran libraries . . . . . . . . . . . 824--832
Yu. V. Suleimanov and
J. W. Allen and
W. H. Green RPMDrate: Bimolecular chemical reaction
rates from ring polymer molecular
dynamics . . . . . . . . . . . . . . . . 833--840
Martin Hoefling and
Helmut Grubmüller In silico FRET from simulated dye
dynamics . . . . . . . . . . . . . . . . 841--852
Y. G. Chen and
J. B. Wang Qcompiler: Quantum compilation with the
CSD method . . . . . . . . . . . . . . . 853--865
R. Marchand and
D. Purschke and
J. Samson LEOrbit: a program to calculate
parameters relevant to modeling Low
Earth Orbit spacecraft-plasma
interaction . . . . . . . . . . . . . . 866--872
David A. Bonhommeau and
Marie-Pierre Gaigeot MCMC$^2$: a Monte Carlo code for
multiply-charged clusters . . . . . . . 873--884
Carl McBride and
Eva G. Noya and
Carlos Vega A computer program to evaluate the NVM
propagator for rigid asymmetric tops for
use in path integral simulations of
rigid bodies . . . . . . . . . . . . . . 885--890
Raoul D. Schram and
Gerard T. Barkema and
Rob H. Bisseling SAWdoubler: a program for counting
self-avoiding walks . . . . . . . . . . 891--898
Debtosh Chowdhury and
Raghuveer Garani and
Sudhir K. Vempati SuSeFLAV 1.2: Program for supersymmetric
mass spectra with seesaw mechanism and
rare lepton flavor violating decays . . 899--918
Borut Paul Kersevan and
Elzbieta Richter-W\kas The Monte Carlo event generator AcerMC
versions 2.0 to 3.8 with interfaces to
PYTHIA 6.4, HERWIG 6.5 and ARIADNE 4.1 919--985
G. Bevilacqua and
M. Czakon and
M. V. Garzelli and
A. van Hameren and
A. Kardos and
C. G. Papadopoulos and
R. Pittau and
M. Worek HELAC-NLO . . . . . . . . . . . . . . . 986--997
Oliver Brein and
Robert V. Harlander and
Tom J. E. Zirke vh@nnlo-Higgs Strahlung at hadron
colliders . . . . . . . . . . . . . . . 998--1003
A. Crivellin and
J. Rosiek and
P. H. Chankowski and
A. Dedes and
S. Jäger and
P. Tanedo SUSY\_FLAVOR v2: a computational tool
for FCNC and CP-violating processes in
the MSSM . . . . . . . . . . . . . . . . 1004--1032
Lorenzo Botto A geometric multigrid Poisson solver for
domains containing solid inclusions . . 1033--1044
G. F. Jefferson and
J. Carminati ASP: Automated symbolic computation of
approximate symmetries of differential
equations . . . . . . . . . . . . . . . 1045--1063
B. Azadegan A Mathematica package for calculation of
planar channeling radiation spectra of
relativistic electrons channeled in a
diamond-structure single crystal
(quantum approach) . . . . . . . . . . . 1064--1069
Xian-You Wang and
Xing-Gang Wu GENXICC2.1: an improved version of
GENXICC for hadronic production of
doubly heavy baryons . . . . . . . . . . 1070--1074
Alexei Bazavov and
Bernd A. Berg Program package for multicanonical
simulations of $ {\rm U}(1) $ lattice
gauge theory --- Second version . . . . 1075--1076
Anonymous Editorial Board . . . . . . . . . . . . ??
T. H. Cho and
W. S. Su and
T. C. Leung and
Wei Ren and
C. T. Chan Electronic and optical properties of
bundled single-walled carbon nanotubes
investigated by the first-principles
method . . . . . . . . . . . . . . . . . 1077--1085
S. A. Galindo-Torres and
A. Scheuermann and
L. Li and
D. M. Pedroso and
D. J. Williams A Lattice Boltzmann model for studying
transient effects during
imbibition-drainage cycles in
unsaturated soils . . . . . . . . . . . 1086--1093
Shamsul Qamar and
Sidrah Ahmed The space--time CE/SE method for solving
one-dimensional special relativistic
magnetohydrodynamics equations . . . . . 1094--1105
Lin Zhang and
Jie Ouyang and
Xiaohua Zhang The variational multiscale element free
Galerkin method for MHD flows at high
Hartmann numbers . . . . . . . . . . . . 1106--1118
Y. Afshar and
F. Schmid and
A. Pishevar and
S. Worley Exploiting seeding of random number
generators for efficient domain
decomposition parallelization of
dissipative particle dynamics . . . . . 1119--1128
Jonathan D. Halverson and
Thomas Brandes and
Olaf Lenz and
Axel Arnold and
Stas Bevc and
Vitaliy Starchenko and
Kurt Kremer and
Torsten Stuehn and
Dirk Reith ESPResSo++: a modern multiscale
simulation package for soft matter
systems . . . . . . . . . . . . . . . . 1129--1149
Hong Fu and
Limin Zheng and
Minghui Yang Accelerating modified Shepard
interpolated potential energy
calculations using graphics processing
units . . . . . . . . . . . . . . . . . 1150--1154
Johannes Zierenberg and
Martin Marenz and
Wolfhard Janke Scaling properties of a parallel
implementation of the multicanonical
algorithm . . . . . . . . . . . . . . . 1155--1160
Yong Zhang and
Ting-Zhu Huang and
Wei Shao and
Sheng-Jian Lai Some new strategies for RCM ordering in
solving electromagnetic scattering
problems . . . . . . . . . . . . . . . . 1161--1164
Peter Wittek and
Fernando M. Cucchietti A second-order distributed
Trotter--Suzuki solver with a hybrid
CPU--GPU kernel . . . . . . . . . . . . 1165--1171
Andriy O. Lyakhov and
Artem R. Oganov and
Harold T. Stokes and
Qiang Zhu New developments in evolutionary
structure prediction algorithm USPEX . . 1172--1182
Markus Hopfer and
Reinhard Alkofer and
Gundolf Haase Solving the ghost-gluon system of
Yang--Mills theory on GPUs . . . . . . . 1183--1190
C. Teijeiro and
G. Sutmann and
G. L. Taboada and
J. Touriño Parallel Brownian dynamics simulations
with the message-passing and PGAS
programming models . . . . . . . . . . . 1191--1202
G. Demeter Solving the Maxwell--Bloch equations for
resonant nonlinear optics using GPUs . . 1203--1210
Stéphane Balac and
Fabrice Mahé Embedded Runge--Kutta scheme for
step-size control in the interaction
picture method . . . . . . . . . . . . . 1211--1219
J. S. Lee and
M. Carena and
J. Ellis and
A. Pilaftsis and
C. E. M. Wagner CPsuperH2.3: an updated tool for
phenomenology in the MSSM with explicit
CP violation . . . . . . . . . . . . . . 1220--1233
J. R. Johansson and
P. D. Nation and
Franco Nori QuTiP 2: a Python framework for the
dynamics of open quantum systems . . . . 1234--1240
Shuang Gao and
Gregory D. Peterson GASPRNG: GPU accelerated scalable
parallel random number generator library 1241--1249
R. M. Caplan NLSEmagic: Nonlinear Schrödinger equation
multi-dimensional Matlab-based
GPU-accelerated integrators using
compact high-order schemes . . . . . . . 1250--1271
Kyungwon Chun and
Huioon Kim and
Hyounggyu Kim and
Kil Su Jung and
Youngjoo Chung GMES: a Python package for solving
Maxwell's equations using the FDTD
method . . . . . . . . . . . . . . . . . 1272--1279
Hartmut Hafermann and
Philipp Werner and
Emanuel Gull Efficient implementation of the
continuous-time hybridization expansion
quantum impurity solver . . . . . . . . 1280--1286
V. Ledoux and
M. Van Daele Automatic computation of
quantum-mechanical bound states and
wavefunctions . . . . . . . . . . . . . 1287--1296
I. Honkonen and
S. von Alfthan and
A. Sandroos and
P. Janhunen and
M. Palmroth Parallel grid library for rapid and
flexible simulation development . . . . 1297--1309
J. M. Franco and
I. Gómez Some procedures for the construction of
high-order exponentially fitted
Runge--Kutta--Nyström methods of explicit
type . . . . . . . . . . . . . . . . . . 1310--1321
William K. Ridgeway and
David P. Millar and
James R. Williamson Vectorized data acquisition and fast
triple-correlation integrals for
Fluorescence Triple Correlation
Spectroscopy . . . . . . . . . . . . . . 1322--1332
M. Giannotti and
M. Wise and
A. Mohammed MESAFace, a graphical interface to
analyze the MESA output . . . . . . . . 1333--1338
Enikö J. M. Madarassy and
Viktor T. Toth Numerical simulation code for
self-gravitating Bose--Einstein
condensates . . . . . . . . . . . . . . 1339--1343
I. V. Grossu and
I. Grossu and
D. Felea and
C. Besliu and
Al. Jipa and
T. Esanu and
C. C. Bordeianu and
E. Stan Hyper-Fractal Analysis: a visual tool
for estimating the fractal dimension of
$4$D objects . . . . . . . . . . . . . . 1344--1345
I. V. Grossu and
C. Besliu and
Al. Jipa and
D. Felea and
T. Esanu and
E. Stan and
C. C. Bordeianu Chaos Many-Body Engine v03: a new
version of code C# for chaos analysis of
relativistic many-body systems with
reactions . . . . . . . . . . . . . . . 1346--1347
N. S. Scott Editor's corrigendum to ``Phonon
dispersion measured directly from
molecular dynamics simulations''
[Comput. Phys. Comm. \bf 182 (10) (2011)
2201--2207] . . . . . . . . . . . . . . 1348--1348
Anonymous Editorial Board . . . . . . . . . . . . ??
Shamsul Qamar and
Waqas Ashraf Application of central schemes for
solving radiation hydrodynamical models 1349--1363
Chaofeng Hou and
Ji Xu and
Peng Wang and
Wenlai Huang and
Xiaowei Wang Efficient GPU-accelerated molecular
dynamics simulation of solid covalent
crystals . . . . . . . . . . . . . . . . 1364--1371
Leonardo Pacifici and
Danilo Nalli and
Antonio Lagan\`a Quantum reactive scattering on
innovative computing platforms . . . . . 1372--1380
R. López and
J. F. San-Juan Astrody$^{\rm Web}_{\rm tools}$: an
e-Science project in Astrodynamics and
Celestial Mechanics fields . . . . . . . 1381--1386
Shyamal Bhar and
Soumen Kumar Roy A comparison of the performance of
Wang--Landau-Transition-Matrix algorithm
with Wang--Landau algorithm for the
determination of the joint density of
states for continuous spin models . . . 1387--1394
Mohammed F. Hadi and
Seyed A. Esmaeili CUDA Fortran acceleration for the
finite-difference time-domain method . . 1395--1400
Wenrui Hao and
Zhenzhou Lu and
Luyi Li A new interpretation and validation of
variance based importance measures for
models with correlated inputs . . . . . 1401--1413
Zheyong Fan and
Topi Siro and
Ari Harju Accelerated molecular dynamics force
evaluation on graphics processing units
for thermal conductivity calculations 1414--1425
Carlos E. Fiore and
Cláudio J. DaSilva Equivalence between microcanonical
ensembles for lattice models . . . . . . 1426--1431
Lajos Szalmás Accelerated discrete velocity method for
axial-symmetric gaseous flows . . . . . 1432--1438
Abhishek Chowdhury and
Asit K. De and
Sangita De Sarkar and
A. Harindranath and
Jyotirmoy Maiti and
Santanu Mondal and
Anwesa Sarkar Exploring autocorrelations in two-flavor
Wilson Lattice QCD using DD-HMC
algorithm . . . . . . . . . . . . . . . 1439--1445
Wenbin Yu and
Maxwell Blair DNAD, a simple tool for automatic
differentiation of Fortran codes using
dual numbers . . . . . . . . . . . . . . 1446--1452
J. Kuipers and
T. Ueda and
J. A. M. Vermaseren and
J. Vollinga FORM version 4.0 . . . . . . . . . . . . 1453--1467
P. Homola and
R. Engel and
A. Pysz and
H. Wilczy\'nski Simulation of ultra-high energy photon
propagation with PRESHOWER 2.0 . . . . . 1468--1475
Ben-Hao Sa and
Dai-Mei Zhou and
Yu-Liang Yan and
Bao-Guo Dong and
Xu Cai PACIAE 2.1: an updated issue of the
parton and hadron cascade model PACIAE
2.0 . . . . . . . . . . . . . . . . . . 1476--1479
V. B. Zlokazov VACTIV: a graphical dialog based program
for an automatic processing of line and
band spectra . . . . . . . . . . . . . . 1480--1481
Anonymous Editorial Board . . . . . . . . . . . . ??
A. Yu. Polyakov and
T. V. Lyutyy and
S. Denisov and
V. V. Reva and
P. Hänggi Large-scale ferrofluid simulations on
graphics processing units . . . . . . . 1483--1489
Weihua Geng and
Ferosh Jacob A GPU-accelerated direct-sum boundary
integral Poisson--Boltzmann solver . . . 1490--1496
Michele Tuttafesta and
Gianpiero Colonna and
Giuseppe Pascazio Computing unsteady compressible flows
using Roe's flux-difference splitting
scheme on GPUs . . . . . . . . . . . . . 1497--1510
Shanshan Wang and
Luming Zhang An efficient split-step compact finite
difference method for cubic-quintic
complex Ginzburg--Landau equations . . . 1511--1521
Jacob Finkenrath and
Francesco Knechtli and
Björn Leder Fermions as global correction: the QCD
case . . . . . . . . . . . . . . . . . . 1522--1534
Ydalia Delgado Mercado and
Christof Gattringer and
Alexander Schmidt Surface worm algorithm for abelian
Gauge--Higgs systems on the lattice . . 1535--1546
Haruhiko Kohno and
Jean-Christophe Nave A new method for the level set equation
using a hierarchical-gradient truncation
and remapping technique . . . . . . . . 1547--1554
Y. Feng and
T. Lunt and
F. Sardei and
X. Zha Implicit coupling of impurity transport
at the SOL-core interface . . . . . . . 1555--1561
O. Zinchenko and
H. A. De Raedt and
E. Detsi and
P. R. Onck and
J. T. M. De Hosson Nanoporous gold formation by dealloying:
a Metropolis Monte Carlo study . . . . . 1562--1569
M. Munoz Zuniga and
S. Kucherenko and
N. Shah Metamodelling with independent and
dependent inputs . . . . . . . . . . . . 1570--1580
Bahaaudin M. Raffah and
Paul C. Abbott Efficient computation of
Wigner--Eisenbud functions . . . . . . . 1581--1591
M. V. Stoitsov and
N. Schunck and
M. Kortelainen and
N. Michel and
H. Nam and
E. Olsen and
J. Sarich and
S. Wild Axially deformed solution of the
Skyrme--Hartree--Fock--Bogoliubov
equations using the transformed harmonic
oscillator basis (II) hfbtho v2.00d: a
new version of the program . . . . . . . 1592--1604
Robert V. Harlander and
Stefan Liebler and
Hendrik Mantler SusHi: a program for the calculation of
Higgs production in gluon fusion and
bottom-quark annihilation in the
Standard Model and the MSSM . . . . . . 1605--1617
Silvia Bahmann and
Jens Kortus EVO --- Evolutionary algorithm for
crystal structure prediction . . . . . . 1618--1625
Jun Gao and
Zhihua Liang and
Davison E. Soper and
Hung-Liang Lai and
Pavel M. Nadolsky and
C.-P. Yuan MEKS: a program for computation of
inclusive jet cross sections at hadron
colliders . . . . . . . . . . . . . . . 1626--1642
Anonymous Editorial Board . . . . . . . . . . . . ??
Bogdan Caruntu and
Constantin Bota Approximate polynomial solutions of the
nonlinear Lane--Emden type equations
arising in astrophysics using the
squared remainder minimization method 1643--1648
Won-Kwang Park and
Taehoon Park Multi-frequency based location search
algorithm of small electromagnetic
inhomogeneities embedded in two-layered
medium . . . . . . . . . . . . . . . . . 1649--1659
Zhaopeng Zhong and
Alberto Talamo and
Yousry Gohar Monte Carlo and deterministic
computational methods for the
calculation of the effective delayed
neutron fraction . . . . . . . . . . . . 1660--1665
Krzysztof Cichy and
Agnieszka Kujawa-Cichy and
Marcin Szyniszewski Lattice Hamiltonian approach to the
massless Schwinger model: Precise
extraction of the mass gap . . . . . . . 1666--1672
Romain Garnier and
André Barka and
Olivier Pascal Efficient periodic band diagram
computation using a finite element
method, Arnoldi eigensolver and sparse
linear system solver . . . . . . . . . . 1673--1682
Christian Ringl and
Herbert M. Urbassek A simple algorithm for constructing
fractal aggregates with pre-determined
fractal dimension . . . . . . . . . . . 1683--1685
P. Van Liedekerke and
B. Smeets and
T. Odenthal and
E. Tijskens and
H. Ramon Solving microscopic flow problems using
Stokes equations in SPH . . . . . . . . 1686--1696
Éric Germaneau and
Gang Su and
Qing-Rong Zheng Implementation of the modified
Becke--Johnson meta-GGA functional in
Quantum Espresso . . . . . . . . . . . . 1697--1700
Qingang Xiong and
Bo Li and
Ji Xu GPU-accelerated adaptive particle
splitting and merging in SPH . . . . . . 1701--1707
Victor G. L. Alves and
Simone C. Cardoso and
Ademir X. da Silva Gafchromic EBT2 dosimetry via robust
optimization . . . . . . . . . . . . . . 1708--1716
I. M. Khan and
M. Poursina and
K. S. Anderson Model transitions and optimization
problem in multi-flexible-body systems:
Application to modeling molecular
systems . . . . . . . . . . . . . . . . 1717--1728
Alexander Belyaev and
Neil D. Christensen and
Alexander Pukhov CalcHEP 3.4 for collider physics within
and beyond the Standard Model . . . . . 1729--1769
M. P. Ruffoni The FTS Atomic Spectrum Tool (FAST) for
rapid analysis of line spectra . . . . . 1770--1776
Ondrej Certík and
John E. Pask and
Jirí Vackár \tt dftatom: a robust and general
Schrödinger and Dirac solver for atomic
structure calculations . . . . . . . . . 1777--1791
Florian Staub SARAH 3.2: Dirac gauginos, UFO output,
and more . . . . . . . . . . . . . . . . 1792--1809
O. Coufal A method for the accurate and smooth
approximation of standard thermodynamic
functions . . . . . . . . . . . . . . . 1810--1811
I. V. Grossu and
S. A. El-Shamali Hyper-Fractal Analysis v04:
Implementation of a fuzzy box-counting
algorithm for image analysis of artistic
works . . . . . . . . . . . . . . . . . 1812--1813
Anonymous Editorial Board . . . . . . . . . . . . ??
Nazim Dugan and
Luigi Genovese and
Stefan Goedecker A customized $3$D GPU Poisson solver for
free boundary conditions . . . . . . . . 1815--1820
Y. C. Ou and
Y. H. Chiu and
J. M. Lu and
W. P. Su and
M. F. Lin Electric modulation effect on
magneto-optical spectrum of monolayer
graphene . . . . . . . . . . . . . . . . 1821--1826
Nicola Varini and
Davide Ceresoli and
Layla Martin-Samos and
Ivan Girotto and
Carlo Cavazzoni Enhancement of DFT-calculations at
petascale: Nuclear Magnetic Resonance,
Hybrid Density Functional Theory and
Car--Parrinello calculations . . . . . . 1827--1833
Frederick Ira Moxley III and
David T. Chuss and
Weizhong Dai A generalized finite-difference
time-domain scheme for solving nonlinear
Schrödinger equations . . . . . . . . . . 1834--1841
T. Makkonen and
M. Groth and
M. I. Airila and
R. Dux and
A. Janzer and
T. Kurki-Suonio and
T. Lunt and
H. W. Mueller and
T. Puetterich and
E. Viezzer and
ASDEX Upgrade team Synthetic Doppler spectroscopy and
curvilinear camera diagnostics in the
ERO code . . . . . . . . . . . . . . . . 1842--1847
J. M. Domínguez and
A. J. C. Crespo and
D. Valdez-Balderas and
B. D. Rogers and
M. Gómez-Gesteira New multi-GPU implementation for
smoothed particle hydrodynamics on
heterogeneous clusters . . . . . . . . . 1848--1860
Rostam Golesorkhtabar and
Pasquale Pavone and
Jürgen Spitaler and
Peter Puschnig and
Claudia Draxl ElaStic: a tool for calculating
second-order elastic constants from
first principles . . . . . . . . . . . . 1861--1873
Rooholah Abedian and
Hojatollah Adibi and
Mehdi Dehghan A high-order weighted essentially
non-oscillatory (WENO) finite difference
scheme for nonlinear degenerate
parabolic equations . . . . . . . . . . 1874--1888
Fatin Sezgin and
Tevfik Metin Sezgin Finding the best portable congruential
random number generators . . . . . . . . 1889--1897
Hua Guo and
Peter Arbenz and
Benedikt Oswald A large-scale nonlinear eigensolver for
the analysis of dispersive
nanostructures . . . . . . . . . . . . . 1898--1906
Mario Schröck and
Hannes Vogt Coulomb, Landau and maximally Abelian
gauge fixing in lattice QCD with
multi-GPUs . . . . . . . . . . . . . . . 1907--1919
Zelimir Marojevi\'c and
Ertan Göklü and
Claus Lämmerzahl Energy eigenfunctions of the $1$D
Gross--Pitaevskii equation . . . . . . . 1920--1930
Thomas Fischbacher and
Franziska Synatschke-Czerwonka FlowPy --- a numerical solver for
functional renormalization group
equations . . . . . . . . . . . . . . . 1931--1945
G. Opletal and
T. C. Petersen and
I. K. Snook and
S. P. Russo HRMC\_2.0: Hybrid Reverse Monte Carlo
method with silicon, carbon and
germanium potentials . . . . . . . . . . 1946--1957
Ian A. Cosden and
Jennifer R. Lukes A hybrid atomistic-continuum model for
fluid flow using LAMMPS and OpenFOAM . . 1958--1965
Bo Xiao and
Hao Wang and
Shou-hua Zhu A simple algorithm for automatic Feynman
diagram generation . . . . . . . . . . . 1966--1972
Zhi-Wei Huang and
Jueping Liu NumExp: Numerical epsilon expansion of
hypergeometric functions . . . . . . . . 1973--1980
Simon Badger and
Benedikt Biedermann and
Peter Uwer and
Valery Yundin Numerical evaluation of virtual
corrections to multi-jet production in
massless QCD . . . . . . . . . . . . . . 1981--1998
G. Beliakov and
D. Creighton and
M. Johnstone and
T. Wilkin Efficient implementation of Bailey and
Borwein pseudo-random number generator
based on normal numbers . . . . . . . . 1999--2004
Akira SaiToh ZKCM: a C++ library for multiprecision
matrix computation with applications in
quantum information . . . . . . . . . . 2005--2020
F. E. Mackay and
S. T. T. Ollila and
C. Denniston Hydrodynamic forces implemented into
LAMMPS through a lattice-Boltzmann fluid 2021--2031
Jingjing Zheng and
Rubén Meana-Pañeda and
Donald G. Truhlar MSTor version 2013: a new version of the
computer code for the multi-structural
torsional anharmonicity, now with a
coupled torsional potential . . . . . . 2032--2033
Anonymous Editorial Board . . . . . . . . . . . . ??
Xiangwen Lu and
Jiabin Yuan and
Weiwei Zhang Workflow of the Grover algorithm
simulation incorporating CUDA and GPGPU 2035--2041
Matthias Bach and
Volker Lindenstruth and
Owe Philipsen and
Christopher Pinke Lattice QCD based on OpenCL . . . . . . 2042--2052
M. Brambilla and
R. Bilato An efficient interface between the
solvers of Maxwell's equations and of
the quasilinear kinetic equation for
simulations of ion cyclotron heating in
tokamak plasmas . . . . . . . . . . . . 2053--2060
Aditya Kaushik Iterative analytic approximation to
nonlinear convection dominated systems 2061--2069
J.-H. Koehne and
K. Frantzen and
M. Schmitz and
T. Fuchs and
W. Rhode and
D. Chirkin and
J. Becker Tjus PROPOSAL: a tool for propagation of
charged leptons . . . . . . . . . . . . 2070--2090
Qing Hou and
Min Li and
Yulu Zhou and
Jiechao Cui and
Zhenguo Cui and
Jun Wang Molecular dynamics simulations with
many-body potentials on multiple
GPUs-The implementation, package and
performance . . . . . . . . . . . . . . 2091--2101
Kris T. Delaney and
Glenn H. Fredrickson Polymer field-theory simulations on
graphics processing units . . . . . . . 2102--2110
Guang-Rui Qian and
Xiao Dong and
Xiang-Feng Zhou and
Yongjun Tian and
Artem R. Oganov and
Hui-Tian Wang Variable cell nudged elastic band method
for studying solid-solid structural
phase transitions . . . . . . . . . . . 2111--2118
Pavel Augustinský and
Jan Kunes Improved Green's function measurement
for hybridization expansion quantum
Monte Carlo . . . . . . . . . . . . . . 2119--2126
M. Rewie\'nski and
A. Lamecki and
M. Mrozowski An extended basis inexact shift-invert
Lanczos for the efficient solution of
large-scale generalized eigenproblems 2127--2135
Yinlong Zhao and
Zhiliang Lin and
Shijun Liao An iterative HAM approach for nonlinear
boundary value problems in a
semi-infinite domain . . . . . . . . . . 2136--2144
Mehdi Dehghan and
Ahmad Nikpour The solitary wave solution of coupled
Klein--Gordon--Zakharov equations via
two different numerical methods . . . . 2145--2158
Yohei Miki and
Daisuke Takahashi and
Masao Mori Highly scalable implementation of an
$N$-body code on a GPU cluster . . . . . 2159--2168
Harpreet Kaur and
R. C. Mittal and
Vinod Mishra Haar wavelet approximate solutions for
the generalized Lane--Emden equations
arising in astrophysics . . . . . . . . 2169--2177
Fatih Özkaynak and
Sirma Yavuz Security problems for a pseudorandom
sequence generator based on the Chen
chaotic system . . . . . . . . . . . . . 2178--2181
Minghui Wang and
Wenhao Ma A structure-preserving method for the
quaternion LU decomposition in
quaternionic quantum theory . . . . . . 2182--2186
C. Nazé and
E. Gaidamauskas and
G. Gaigalas and
M. Godefroid and
P. Jönsson ris 3: a program for relativistic
isotope shift calculations . . . . . . . 2187--2196
P. Jönsson and
G. Gaigalas and
J. Biero\'n and
C. Froese Fischer and
I. P. Grant New version: Grasp 2 K relativistic
atomic structure package . . . . . . . . 2197--2203
J. Mikram and
F. Zinoun and
A. El Abdllaoui POINCARÉ CODE: a package of open-source
implements for normalization and
computer algebra reduction near
equilibria of coupled ordinary
differential equations . . . . . . . . . 2204--2213
Nathan Whitehorn and
Jakob van Santen and
Sven Lafebre Penalized splines for smooth
representation of high-dimensional Monte
Carlo datasets . . . . . . . . . . . . . 2214--2220
Beibei Huang and
Vladimir A. Baulin IPEC Solver: Numerical simulation tool
to study inter-polyelectrolyte
complexation . . . . . . . . . . . . . . 2221--2229
Sam J. Cipolla Corrected ISICS program versions
available due to a minor calculation
error involving M3 X-ray production
cross sections . . . . . . . . . . . . . 2230--2231
Matej Batic and
Maria Grazia Pia and
Sam J. Cipolla Corrected ISICSoo class version . . . . 2232--2233
Anonymous Editorial Board . . . . . . . . . . . . ??
S. Bogneri and
A. Bulgacx and
J. Carlsonf and
J. Engelt and
G. Fannj and
R. J. Furnstahlm and
S. Gandolfif and
G. Hagenl and
M. Horoid and
C. Johnsonq and
M. Kortelainenu and
E. Luska and
P. Marise and
H. Namk and
P. Navratilh and
W. Nazarewiczu and
E. Ngg and
G. P. A. Nobrec and
E. Ormandh and
T. Papenbrockl and
J. Peiu and
S. C. Pieperb and
S. Quaglionih and
K. J. Rocheo and
J. Saricha and
N. Schunckh and
M. Sosonkinan and
J. Terasakiv and
I. Thompsonh and
J. P. Varye and
S. M. Wilda Computational nuclear quantum many-body
problem: the UNEDF project . . . . . . . 2235--2250
Deuk-Chul Kwon and
Mi-Young Song and
Jung-Sik Yoon and
Nam-Sik Yoon A feed-back control approach for global
simulation of high density plasma
discharges . . . . . . . . . . . . . . . 2251--2256
Pawel Dlotko and
Ruben Specogna Physics inspired algorithms for
(co)homology computations of
three-dimensional combinatorial
manifolds with boundary . . . . . . . . 2257--2266
L. Luo and
T. Rafiq and
A. H. Kritz Improved multi-mode anomalous transport
module for tokamak plasmas . . . . . . . 2267--2276
D. Kumar and
A. K. Patra and
E. B. Pitman and
H. Chi Parallel Godunov smoothed particle
hydrodynamics (SPH) with improved
treatment of Boundary Conditions and an
application to granular flows . . . . . 2277--2286
Daniil A. Andrienko and
Sergey T. Surzhikov and
Joseph S. Shang Spherical harmonics method applied to
the multi-dimensional radiation transfer 2287--2298
C. Montoliu and
N. Ferrando and
M. A. Gosálvez and
J. Cerdá and
R. J. Colom Implementation and evaluation of the
Level Set method: Towards efficient and
accurate simulation of wet etching for
microengineering applications . . . . . 2299--2309
Mauro Lapelosa and
Cameron F. Abrams Transition-path theory calculations on
non-uniform meshes in two and three
dimensions using finite elements . . . . 2310--2315
Reza Kamali and
Ali Kharazmi Investigation of multiscale fluid flow
characteristics based on a hybrid
atomistic-continuum method . . . . . . . 2316--2320
A. Arbona and
A. Artigues and
C. Bona-Casas and
J. Massó and
B. Miñano and
A. Rigo and
M. Trias and
C. Bona Simflowny: a general-purpose platform
for the management of physical models
and simulation problems . . . . . . . . 2321--2331
Vladimir V. Bytev and
Mikhail Yu. Kalmykov and
Bernd A. Kniehl HYPERDIRE, HYPERgeometric functions
DIfferential REduction:
Mathematica-based packages for
differential reduction of generalized
hypergeometric functions $ {}_p F_{p -
1}, F_1, F_2, F_3, F_4 $ . . . . . . . . 2332--2342
Sergey G. Bondarenko and
Andrey A. Sapronov NLO EW and QCD proton-proton cross
section calculations with \tt
mcsanc-v1.01 . . . . . . . . . . . . . . 2343--2350
M. D. J. Hollis and
M. Tessenyi and
G. Tinetti tau: a $1$D radiative transfer code for
transmission spectroscopy of extrasolar
planet atmospheres . . . . . . . . . . . 2351--2361
Jun Gao CIJET: a program for computation of jet
cross sections induced by quark contact
interactions at hadron colliders . . . . 2362--2366
L. Yu. Barash and
L. N. Shchur RNGSSELIB: Program library for random
number generation. More generators,
parallel streams of random numbers and
Fortran compatibility . . . . . . . . . 2367--2369
Anonymous Editorial Board . . . . . . . . . . . . ??
Roberto da Silva and
Henrique A. Fernandes and
J. R. Drugowich de Felício and
Wagner Figueiredo Novel considerations about the
non-equilibrium regime of the
tricritical point in a metamagnetic
model: Localization and tricritical
exponents . . . . . . . . . . . . . . . 2371--2377
Y.-J. Lin and
M. R. Smith and
F.-A. Kuo and
H. M. Cave and
J.-C. Huang and
J.-S. Wu A true-direction reconstruction of the
quiet direct simulation method for
inviscid gas flows . . . . . . . . . . . 2378--2390
J. Kuipers and
A. Plaat and
J. A. M. Vermaseren and
H. J. van den Herik Improving multivariate Horner schemes
with Monte Carlo tree search . . . . . . 2391--2395
Wei Jiang and
Hanquan Wang and
Xianggui Li A numerical study of the ground state
and dynamics of atomic-molecular
Bose--Einstein condensates . . . . . . . 2396--2407
Wei Shi and
Xinyuan Wu A note on symplectic and symmetric ARKN
methods . . . . . . . . . . . . . . . . 2408--2411
S. Norris and
A. Vikartofsky and
R. E. Wagner and
Q. Su and
R. Grobe Absorbing-like boundaries for quantum
field theoretical grid simulations . . . 2412--2418
F. Hariri and
M. Ottaviani A flux-coordinate independent
field-aligned approach to plasma
turbulence simulations . . . . . . . . . 2419--2429
Lajos Szalmás Accelerated discrete velocity method for
axial-symmetric flows of gaseous
mixtures as defined by the McCormack
kinetic model . . . . . . . . . . . . . 2430--2437
M. Wiebusch Numerical computation of $p$-values with
myFitter . . . . . . . . . . . . . . . . 2438--2445
Nicolas Blöchliger and
Andreas Vitalis and
Amedeo Caflisch A scalable algorithm to order and
annotate continuous observations reveals
the metastable states visited by
dynamical systems . . . . . . . . . . . 2446--2453
Sibo Wang and
Junbo Xu and
Hao Wen Accelerating dissipative particle
dynamics with multiple GPUs . . . . . . 2454--2461
S. Maeyama and
A. Ishizawa and
T.-H. Watanabe and
N. Nakajima and
S. Tsuji-Iio and
H. Tsutsui Numerical techniques for parallel
dynamics in electromagnetic gyrokinetic
Vlasov simulations . . . . . . . . . . . 2462--2473
Nkosinathi Dlamini and
Alessandro Sergi Quantum dynamics in classical thermal
baths . . . . . . . . . . . . . . . . . 2474--2477
Edoardo Di Napoli and
Mario Berljafa Block iterative eigensolvers for
sequences of correlated eigenvalue
problems . . . . . . . . . . . . . . . . 2478--2488
Zhijun Wang and
Junjie Li and
Yaolin Guo and
Sai Tang and
Jincheng Wang Unique visualization of multiply
oriented lattice structures using a
continuous wavelet transform . . . . . . 2489--2493
Feng-shun Lu and
Jun-qiang Song and
Wang-qun Lin and
Yu-fei Pang and
Kai-jun Ren and
Pei-chang Shi Efficient utilization of launched
threads on GPUs: the spherical harmonic
transform as a case study . . . . . . . 2494--2502
Xinlu Xu and
Peicheng Yu and
Samual F. Martins and
Frank S. Tsung and
Viktor K. Decyk and
Jorge Vieira and
Ricardo A. Fonseca and
Wei Lu and
Luis O. Silva and
Warren B. Mori Numerical instability due to
relativistic plasma drift in EM--PIC
simulations . . . . . . . . . . . . . . 2503--2514
Arno Mayrhofer and
Benedict D. Rogers and
Damien Violeau and
Martin Ferrand Investigation of wall bounded flows
using SPH and the unified
semi-analytical wall boundary conditions 2515--2527
R. Capuzzo-Dolcetta and
M. Spera A performance comparison of different
graphics processing units running direct
$N$-body simulations . . . . . . . . . . 2528--2539
Pengfei Wei and
Zhenzhou Lu and
Jingwen Song A new variance-based global sensitivity
analysis technique . . . . . . . . . . . 2540--2551
Sophia Borowka and
Gudrun Heinrich Massive non-planar two-loop four-point
integrals with SecDec 2.1 . . . . . . . 2552--2561
Hua-Sheng Shao HELAC-Onia: an automatic matrix element
generator for heavy quarkonium physics 2562--2570
C. Bae and
W. M. Stacey and
T. D. Morley GTROTA: a code for the solution of the
coupled nonlinear extended neoclassical
rotation equations in tokamak plasmas
using successive over-relaxation and
simulated annealing . . . . . . . . . . 2571--2587
Ruben Otin ERMES: a nodal-based finite element code
for electromagnetic simulations in
frequency domain . . . . . . . . . . . . 2588--2595
Evgeny Z. Liverts and
Nir Barnea Three-body systems with Coulomb
interaction. Bound and quasi-bound
$S$-states . . . . . . . . . . . . . . . 2596--2603
H. Dreiner and
K. Nickel and
W. Porod and
F. Staub Full 1-loop calculation of $ B R(B^0_{s,
d} \to \ell \bar {\ell }) $ in models
beyond the MSSM with SARAH and SPheno 2604--2617
Benzhuo Lu and
Xiaolin Cheng and
Jingfang Huang and
J. Andrew McCammon AFMPB: an adaptive fast multipole
Poisson--Boltzmann solver for
calculating electrostatics in
biomolecular systems . . . . . . . . . . 2618--2619
Xavier Antoine and
Weizhu Bao and
Christophe Besse Computational methods for the dynamics
of the nonlinear
Schrödinger/Gross--Pitaevskii equations 2621--2633
T. P. Straatsma and
Daniel G. Chavarría-Miranda On eliminating synchronous communication
in molecular simulations to improve
scalability . . . . . . . . . . . . . . 2634--2640
Szilárd Páll and
Berk Hess A flexible algorithm for calculating
pair interactions on SIMD architectures 2641--2650
D. Tordella and
M. Iovieno and
S. Massaglia and
A. Mignone Large-eddy simulation of hypersonic
flows. Selective procedure to activate
the sub-grid model wherever small scale
turbulence is present . . . . . . . . . 2651--2661
Jason Mick and
Eyad Hailat and
Vincent Russo and
Kamel Rushaidat and
Loren Schwiebert and
Jeffrey Potoff GPU-accelerated Gibbs ensemble Monte
Carlo simulations of Lennard-Jonesium 2662--2669
Gregor Michalicek and
Markus Betzinger and
Christoph Friedrich and
Stefan Blügel Elimination of the linearization error
and improved basis-set convergence
within the FLAPW method . . . . . . . . 2670--2679
Pawel Scharoch and
Maciej Winiarski An efficient method of DFT/LDA band-gap
correction . . . . . . . . . . . . . . . 2680--2683
Hiroaki Ishizuka and
Masafumi Udagawa and
Yukitoshi Motome Polynomial expansion Monte Carlo study
of frustrated itinerant electron
systems: Application to a spin-ice type
Kondo lattice model on a pyrochlore
lattice . . . . . . . . . . . . . . . . 2684--2692
Xiang-Wei Jiang and
Shu-Shen Li and
Lin-Wang Wang A small box Fast Fourier Transformation
method for fast Poisson solutions in
large systems . . . . . . . . . . . . . 2693--2702
Ignacio Martin-Bragado and
Antonio Rivera and
Gonzalo Valles and
Jose Luis Gomez-Selles and
María J. Caturla MMonCa: an Object Kinetic Monte Carlo
simulator for damage irradiation
evolution and defect diffusion . . . . . 2703--2710
A. L. Zheleznyakova and
S. T. Surzhikov Molecular dynamics-based unstructured
grid generation method for aerodynamic
applications . . . . . . . . . . . . . . 2711--2727
Jun Yan and
Lin Li and
Christopher O'Grady Graphics Processing Unit acceleration of
the Random Phase Approximation in the
projector augmented wave method . . . . 2728--2733
Eike H. Müller and
Rupert Ford and
Matthew C. Hort and
Lois Huggett and
Graham Riley and
David J. Thomson Parallelisation of the Lagrangian
atmospheric dispersion model NAME . . . 2734--2745
P. R. O. da Silva and
F. W. S. Lima and
R. N. Costa Filho Potts model with $ q = 3 $ and $4$
states on directed small-world network 2746--2750
R. G. M. van der Sman Investigation of Lattice Boltzmann
wetting boundary conditions for
capillaries with irregular polygonal
cross-section . . . . . . . . . . . . . 2751--2760
Calvin W. Johnson and
W. Erich Ormand and
Plamen G. Krastev Factorization in large-scale many-body
calculations . . . . . . . . . . . . . . 2761--2774
Hiroshi Watanabe and
Masaru Suzuki and
Nobuyasu Ito Huge-scale molecular dynamics simulation
of multibubble nuclei . . . . . . . . . 2775--2784
W. Michael Brown and
Masako Yamada Implementing molecular dynamics on
hybrid high performance computers ---
Three-body potentials . . . . . . . . . 2785--2793
Rudy Arthur and
A. D. Kennedy Monte Carlo integration with subtraction 2794--2802
Andy Buckley and
Jonathan Butterworth and
David Grellscheid and
Hendrik Hoeth and
Leif Lönnblad and
James Monk and
Holger Schulz and
Frank Siegert Rivet user manual . . . . . . . . . . . 2803--2819
A. V. Smirnov and
V. A. Smirnov FIRE4, LiteRed and accompanying tools to
solve integration by parts relations . . 2820--2827
Nikesh S. Dattani FeynDyn: a MATLAB program for fast
numerical Feynman integral calculations
for open quantum system dynamics on GPUs 2828--2833
T. Loke and
J. B. Wang CUGatesDensity --- Quantum circuit
analyser extended to density matrices 2834--2839
M. A. Bernal and
D. Sikansi and
F. Cavalcante and
S. Incerti and
C. Champion and
V. Ivanchenko and
Z. Francis An atomistic geometrical model of the
B-DNA configuration for DNA-radiation
interaction simulations . . . . . . . . 2840--2847
Zhi Yang and
Xing-Gang Wu and
Xian-You Wang BEEC: an event generator for simulating
the $ B_c $ meson production at an $ e^+
e^- $ collider . . . . . . . . . . . . . 2848--2855
Christian Blau and
Helmut Grubmuller g\_contacts: Fast contact search in
bio-molecular ensemble data . . . . . . 2856--2859
E. Sarti and
S. Zamuner and
P. Cossio and
A. Laio and
F. Seno and
A. Trovato BACHSCORE. A tool for evaluating
efficiently and reliably the quality of
large sets of protein structures . . . . 2860--2865
V. Khoromskaia and
B. N. Khoromskij Mòller--Plesset (MP2) energy correction
using tensor factorization of the
grid-based two-electron integrals . . . 2--10
Miguel Cárdenas-Montes and
Miguel A. Vega-Rodríguez and
Christopher Bonnett and
Ignacio Sevilla-Noarbe and
Rafael Ponce and
Eusebio Sánchez Alvaro and
Juan José Rodríguez-Vázquez GPU-based shear-shear correlation
calculation . . . . . . . . . . . . . . 11--18
Xiaopeng Luo and
Zhenzhou Lu and
Xin Xu A fast computational method for
moment-independent uncertainty
importance measure . . . . . . . . . . . 19--27
Zheyong Fan and
Andreas Uppstu and
Topi Siro and
Ari Harju Efficient linear-scaling quantum
transport calculations on graphics
processing units and applications on
electron transport in graphene . . . . . 28--39
René Hammer and
Walter Pötz Staggered grid leap-frog scheme for the
$ (2 + 1)D $ Dirac equation . . . . . . 40--52
Xin Bian and
Marco Ellero A splitting integration scheme for the
SPH simulation of concentrated particle
suspensions . . . . . . . . . . . . . . 53--62
Zhenlin Guo and
Ping Lin and
Yangfan Wang Continuous finite element schemes for a
phase field model in two-layer fluid
Bénard--Marangoni convection computations 63--78
Akira Kageyama and
Tomoki Yamada An approach to exascale visualization:
Interactive viewing of in-situ
visualization . . . . . . . . . . . . . 79--85
A. Perona and
D. Borgogno and
L.-G. Eriksson A test electron model for the study of
three dimensional magnetic reconnection
effects . . . . . . . . . . . . . . . . 86--95
Wenjun Deng and
Guo-Yong Fu Optimization by marker removal for $
\delta f $ particle simulations . . . . 96--105
Rooholah Abedian and
Hojatollah Adibi and
Mehdi Dehghan A high-order symmetrical weighted hybrid
ENO-flux limiter scheme for hyperbolic
conservation laws . . . . . . . . . . . 106--127
J. Squire and
J. Burby and
H. Qin VEST: Abstract vector calculus
simplification in Mathematica . . . . . 128--135
Edgar A. Gómez and
Saravana Prakash Thirumuruganandham and
Alejandro Santana Split-operator technique for propagating
phase space functions: Exploring
chaotic, dissipative and relativistic
dynamics . . . . . . . . . . . . . . . . 136--143
Un-Hong Wong and
Hon-Cheng Wong and
Yonghui Ma Global magnetohydrodynamic simulations
on multiple GPUs . . . . . . . . . . . . 144--152
Truong Vinh Truong Duy and
Taisuke Ozaki A decomposition method with minimum
communication amount for parallelization
of multi-dimensional FFTs . . . . . . . 153--164
N. B. Marushchenko and
Y. Turkin and
H. Maassberg Ray-tracing code TRAVIS for ECR heating,
EC current drive and ECE diagnostic . . 165--176
M. Dima Flash vertexing algorithms for trigger
applications . . . . . . . . . . . . . . 177--180
Steven F. Henke and
Sachin Shanbhag Mesh sensitivity in peridynamic
simulations . . . . . . . . . . . . . . 181--193
Ulrich Hohenester OCTBEC --- A Matlab toolbox for optimal
quantum control of Bose--Einstein
condensates . . . . . . . . . . . . . . 194--216
S. Eder and
A. Vernes and
G. Betz Methods and numerical aspects of
nanoscopic contact area estimation in
atomistic tribological simulations . . . 217--228
N. Phan-Thien and
N. Mai-Duy and
D. Pan and
B. C. Khoo Exponential-time differencing schemes
for low-mass DPD systems . . . . . . . . 229--235
V. P. Druzhinin and
L. V. Kardapoltsev and
V. A. Tayursky GGRESRC: a Monte Carlo generator for the
two-photon process $ e^+ e^- \to e^+ e^-
R(J^{PC} = 0^{-+}) $ in the single-tag
mode . . . . . . . . . . . . . . . . . . 236--243
Daniel X. Ogburn and
Colin L. Waters and
Murray D. Sciffer and
Jeff A. Hogan and
Paul C. Abbott A finite difference construction of the
spheroidal wave functions . . . . . . . 244--253
K. D. Launey and
S. Sarbadhicary and
T. Dytrych and
J. P. Draayer Program in C for studying characteristic
properties of two-body interactions in
the framework of spectral distribution
theory . . . . . . . . . . . . . . . . . 254--267
Richard W. Bowman and
Graham M. Gibson and
Anna Linnenberger and
David B. Phillips and
James A. Grieve and
David M. Carberry and
Steven Serati and
Mervyn J. Miles and
Miles J. Padgett ``Red Tweezers'': Fast, customisable
hologram generation for optical tweezers 268--273
Eduardo X. Miqueles and
Tiago A. Coimbra and
Bruno D. Amaro and
J. J. S. de Figueiredo Analytical ray tracing system:
Introducing \tt art, a C-library
designed for seismic applications . . . 274--293
Aaron M. Tagliaboschi and
Jeremy B. Maddox POTLIB2Math: a Mathematica interface to
the potential energy surface library for
chemical systems . . . . . . . . . . . . 294--301
Soubhadra Sen and
N. Mohankumar Migpore, a code package for the
estimation of migration of radioactive
species in a porous medium . . . . . . . 302--306
J. Avellar and
L. G. S. Duarte and
L. A. C. P. da Mota A Maple package to find first order
differential invariants of 2ODEs via a
Darboux approach . . . . . . . . . . . . 307--316
Toni Giorgino Computing $1$-D atomic densities in
macromolecular simulations: the density
profile tool for VMD . . . . . . . . . . 317--322
Karol Kolodziej \tt carlomat, version 2 of the program
for automatic computation of lowest
order cross sections . . . . . . . . . . 323--329
J. Buckeridge and
D. O. Scanlon and
A. Walsh and
C. R. A. Catlow Automated procedure to determine the
thermodynamic stability of a material
and the range of chemical potentials
necessary for its formation relative to
competing phases and compounds . . . . . 330--338
Yuan-Pin Chang and
Frank Filsinger and
Boris G. Sartakov and
Jochen Küpper CMIstark: Python package for the
Stark-effect calculation and symmetry
classification of linear, symmetric and
asymmetric top wavefunctions in dc
electric fields . . . . . . . . . . . . 339--349
A. A. Azooz and
Y. A. Al- Jawaady and
Z. T. Ali Langmuir probe RF plasma compensation
using a simulation method . . . . . . . 350--356
Qian Miao and
Yunhu Wang and
Yong Chen and
Yunqing Yang PDEBellII: a Maple package for finding
bilinear forms, bilinear Bäcklund
transformations, Lax pairs and
conservation laws of the KdV-type
equations . . . . . . . . . . . . . . . 357--367
A. A. Babaev Parallel code NSBC: Simulations of
relativistic nuclei scattering by a bent
crystal . . . . . . . . . . . . . . . . 368--379
E. V. Corrêa Silva and
G. A. Monerat and
G. de Oliveira Neto and
L. G. Ferreira Filho Spectral: Solving Schroedinger and
Wheeler--DeWitt equations in the
positive semi-axis by the spectral
method . . . . . . . . . . . . . . . . . 380--391
Claudio A. Gelmi and
Héctor Jorquera IDSOLVER: a general purpose solver for
$n$ th-order integro-differential
equations . . . . . . . . . . . . . . . 392--397
M. F. Ciappina and
J. A. Pérez-Hernández and
M. Lewenstein ClassSTRONG: Classical simulations of
strong field processes . . . . . . . . . 398--406
C. M. Dion and
A. Hashemloo and
G. Rahali Program for quantum wave-packet dynamics
with time-dependent potentials . . . . . 407--414
Petros Souvatzis Uquantchem: a versatile and easy to use
quantum chemistry computational software 415--421
Giovanni Pizzi and
Dmitri Volja and
Boris Kozinsky and
Marco Fornari and
Nicola Marzari BoltzWann: a code for the evaluation of
thermoelectric and electronic transport
properties with a maximally-localized
Wannier functions basis . . . . . . . . 422--429
G. F. Jefferson and
J. Carminati FracSym: Automated symbolic computation
of Lie symmetries of fractional
differential equations . . . . . . . . . 430--441
Erhan Okuyan and
Ugur Güdükbay BilKristal 2.0: a tool for pattern
information extraction from crystal
structures . . . . . . . . . . . . . . . 442--443
Uday K. Khankhoje and
Thomas A. Cwik A mesh reconfiguration scheme for
speeding up Monte Carlo simulations of
electromagnetic scattering by random
rough surfaces . . . . . . . . . . . . . 445--447
Nicolas Crouseilles and
Giovanni Manfredi Asymptotic preserving schemes for the
Wigner--Poisson--BGK equations in the
diffusion limit . . . . . . . . . . . . 448--458
Yunbao Huang and
Shaoen Jiang and
Haiyan Li and
Qifu Wang and
Liping Chen Compressive analysis applied to
radiation symmetry evaluation and
optimization for laser-driven inertial
confinement fusion . . . . . . . . . . . 459--471
David Greynat and
Javier Sesma A new approach to the epsilon expansion
of generalized hypergeometric functions 472--478
Ghislain Tchuen and
Ferdinand Fogang and
Yves Burtschell and
Paul Woafo A hybrid numerical method and its
application to inviscid compressible
flow problems . . . . . . . . . . . . . 479--488
Tian Qiu and
Teng-Yue Han and
Li-Xin Zhong and
Zi-Ke Zhang and
Guang Chen Redundant correlation effect on
personalized recommendation . . . . . . 489--494
E. Westphal and
S. P. Singh and
C.-C. Huang and
G. Gompper and
R. G. Winkler Multiparticle collision dynamics: GPU
accelerated particle-based mesoscale
hydrodynamic simulations . . . . . . . . 495--503
Andrzej Ziólkowski A numerical approach to nonlinear
propagation of light in photorefractive
media . . . . . . . . . . . . . . . . . 504--511
G. A. Panopoulos and
T. E. Simos A new phase-fitted eight-step symmetric
embedded predictor-corrector method
(EPCM) for orbital problems and related
IVPs with oscillating solutions . . . . 512--523
Niels Grònbech-Jensen and
Natha Robert Hayre and
Oded Farago Application of the G-JF discrete-time
thermostat for fast and accurate
molecular simulations . . . . . . . . . 524--527
Maik Höschele and
Jens Hoff and
Alexey Pak and
Matthias Steinhauser and
Takahiro Ueda MT: a Mathematica package to compute
convolutions . . . . . . . . . . . . . . 528--539
M. Tuttafesta and
A. D'Angola and
A. Laricchiuta and
P. Minelli and
M. Capitelli and
G. Colonna GPU and multi-core based Reaction
Ensemble Monte Carlo method for
non-ideal thermodynamic systems . . . . 540--549
M. Baity-Jesi and
R. A. Baños and
A. Cruz and
L. A. Fernandez and
J. M. Gil-Narvion and
A. Gordillo-Guerrero and
D. Iñiguez and
A. Maiorano and
F. Mantovani and
E. Marinari and
V. Martin-Mayor and
J. Monforte-Garcia and
A. Muñoz Sudupe and
D. Navarro and
G. Parisi and
S. Perez-Gaviro and
M. Pivanti and
F. Ricci-Tersenghi and
J. J. Ruiz-Lorenzo and
S. F. Schifano and
B. Seoane and
A. Tarancond and
R. Tripiccione and
D. Yllanes Janus II: A new generation
application-driven computer for
spin-system simulations . . . . . . . . 550--559
S. Alioli and
S. Badger and
J. Bellm and
B. Biedermann and
F. Boudjema and
G. Cullen and
A. Denner and
H. van Deurzen and
S. Dittmaier and
R. Frederix and
S. Frixione and
M. V. Garzelli and
S. Gieseke and
E. W. N. Glover and
N. Greiner and
G. Heinrich and
V. Hirschi and
S. Höche and
J. Huston and
H. Ita and
N. Kauer and
F. Krauss and
G. Luisoni and
D. Ma\^\itre and
F. Maltoni and
P. Nason and
C. Oleari and
R. Pittau and
S. Plätzer and
S. Pozzorini and
L. Reina and
C. Reuschle and
T. Robens and
J. Schlenk and
M. Schönherr and
F. Siegert and
J. F. von Soden-Fraunhofen and
F. Tackmann and
F. Tramontano and
P. Uwer and
G. Salam and
P. Skands and
S. Weinzierl and
J. Winter and
V. Yundin and
G. Zanderighi and
M. Zaro Update of the Binoth Les Houches Accord
for a standard interface between Monte
Carlo tools and one-loop programs . . . 560--571
Yueh-Cheng Kuo and
Tsung-Lin Lee Tracking local optimality for cost
parameterized optimization problems . . 572--577
J. M. TenBarge and
G. G. Howes and
W. Dorland and
G. W. Hammett An oscillating Langevin antenna for
driving plasma turbulence simulations 578--589
L. J. Höök and
T. Johnson Composition schemes for the stochastic
differential equation describing
collisional pitch-angle diffusion . . . 590--594
Antonio Souto-Iglesias and
Fabricio Maci\`a and
Leo M. González and
Jose L. Cercos-Pita Addendum to ``On the consistency of
MPS'' [Comput. Phys. Comm. \bf 184 (3)
(2013) 732--745] . . . . . . . . . . . . 595--598
I. M. Sitnik Development of the FUMILI minimization
package . . . . . . . . . . . . . . . . 599--603
Gareth A. Tribello and
Massimiliano Bonomi and
Davide Branduardi and
Carlo Camilloni and
Giovanni Bussi PLUMED 2: New feathers for an old bird 604--613
C. Schimeczek and
G. Wunner Accurate $2$ d finite element
calculations for hydrogen in magnetic
fields of arbitrary strength . . . . . . 614--621
Brandon Murakami SuperLFV: an SLHA tool for lepton flavor
violating observables in supersymmetric
models . . . . . . . . . . . . . . . . . 622--637
A. Bueno and
A. Gascón CORSIKA implementation of heavy quark
production and propagation in extensive
air showers . . . . . . . . . . . . . . 638--650
D. Schick and
A. Bojahr and
M. Herzog and
R. Shayduk and
C. von Korff Schmising and
M. Bargheer \sc udkm1Dsim --- a simulation toolkit
for $1$D ultrafast dynamics in condensed
matter . . . . . . . . . . . . . . . . . 651--660
S. Rama and
C. Surendra Dilip and
Rajesh Narayana Perumal A software program to investigate the
nucleation kinetics of solution grown
crystals using MATLAB platform . . . . . 661--669
Hua-sheng Xie PDRF: a general dispersion relation
solver for magnetized multi-fluid plasma 670--675
Sandro Giuseppe Chiodo and
Monica Leopoldini MolSOC: a spin-orbit coupling code . . . 676--683
David A. Bonhommeau and
Marie-Pierre Gaigeot MDMC$^2$: a molecular dynamics code for
investigating the fragmentation dynamics
of multiply charged clusters . . . . . . 684--694
M. D. J. Hollis and
M. Tessenyi and
G. Tinetti \tt tau: a $1$D radiative transfer code
for transmission spectroscopy of
extrasolar planet atmospheres . . . . . 695--695
Ianik Plante and
Luc Devroye and
Francis A. Cucinotta Calculations of distance distributions
and probabilities of binding by ligands
between parallel plane membranes
comprising receptors . . . . . . . . . . 697--707
Viktor K. Decyk and
Tajendra V. Singh Particle-in-Cell algorithms for emerging
computer architectures . . . . . . . . . 708--719
Christopher D. Cooper and
Jaydeep P. Bardhan and
L. A. Barba A biomolecular electrostatics solver
using Python, GPUs and boundary elements
that can handle solvent-filled cavities
and Stern layers . . . . . . . . . . . . 720--729
Daniele Barettin and
Paolo Sibani Optimization by record dynamics . . . . 730--735
D. L. Green and
L. A. Berry Iterative addition of parallel
temperature effects to finite-difference
simulation of radio-frequency wave
propagation in plasmas . . . . . . . . . 736--743
X. Pang and
L. Rybarcyk GPU accelerated online multi-particle
beam dynamics simulator for ion linear
particle accelerators . . . . . . . . . 744--753
Bo Li and
Keisuke Fujii and
Yuanning Gao Kalman-filter-based track fitting in
non-uniform magnetic field with
segment-wise helical track model . . . . 754--761
David W. Schwenke On the computation of high order Rys
quadrature weights and nodes . . . . . . 762--763
H. Grimm-Strele and
F. Kupka and
H. J. Muthsam Curvilinear grids for WENO methods in
astrophysical simulations . . . . . . . 764--776
Truong Vinh Truong Duy and
Taisuke Ozaki A three-dimensional domain decomposition
method for large-scale DFT electronic
structure calculations . . . . . . . . . 777--789
Hai-Wei Sun and
Leonard Z. Li A CCD--ADI method for unsteady
convection-diffusion equations . . . . . 790--797
Yufeng Nie and
Weiwei Zhang and
Nan Qi and
Yiqiang Li Parallel node placement method by bubble
simulation . . . . . . . . . . . . . . . 798--808
Manoj Kumar and
Sapna Pandit A composite numerical scheme for the
numerical simulation of coupled Burgers'
equation . . . . . . . . . . . . . . . . 809--817
Ravishankar Sundararaman and
T. A. Arias Efficient classical density-functional
theories of rigid-molecular fluids and a
simplified free energy functional for
liquid water . . . . . . . . . . . . . . 818--825
Sabrina Stella and
Roberto Chignola and
Edoardo Milotti Efficient and extendible class scheme
for the combined reaction-diffusion of
multiple molecular species . . . . . . . 826--835
Hailing Xiong and
Hang Li and
Weiping Chen and
Laosheng Wu Data structure for on-lattice
cluster-cluster aggregation model
performance optimization . . . . . . . . 836--840
Kasper R. Kuijpers and
Lilian de Martín and
J. Ruud van Ommen Optimizing off-lattice Diffusion-Limited
Aggregation . . . . . . . . . . . . . . 841--846
Matt Landreman and
Adam Stahl and
Tünde Fülöp Numerical calculation of the runaway
electron distribution function and
associated synchrotron emission . . . . 847--855
Miao Gao and
Gui-Ping Zhang and
Zhong-Yi Lu Electronic transport of a large scale
system studied by renormalized transfer
matrix method: Application to armchair
graphene nanoribbons between quantum
wires . . . . . . . . . . . . . . . . . 856--861
Hui Wang and
Bo Wu and
Zhixiang Huang and
Xianliang Wu A symplectic FDTD algorithm for the
simulations of lossy dispersive
materials . . . . . . . . . . . . . . . 862--872
Fabiano Corsetti The orbital minimization method for
electronic structure calculations with
finite-range atomic basis sets . . . . . 873--883
Lukasz Walewski and
Harald Forbert and
Dominik Marx Reactive path integral quantum
simulations of molecules solvated in
superfluid helium . . . . . . . . . . . 884--899
I. Cimrák and
M. Gusenbauer and
I. Jancigová An ESPResSo implementation of elastic
objects immersed in a fluid . . . . . . 900--907
Wei Jiang and
James C. Phillips and
Lei Huang and
Mikolai Fajer and
Yilin Meng and
James C. Gumbart and
Yun Luo and
Klaus Schulten and
Beno\^\it Roux Generalized scalable multiple copy
algorithms for molecular dynamics
simulations in NAMD . . . . . . . . . . 908--916
Reza Mohammadi An exponential spline solution of
nonlinear Schrödinger equations with
constant and variable coefficients . . . 917--932
V. B. Zlokazov Confidence interval optimization for
testing hypotheses under data with low
statistics . . . . . . . . . . . . . . . 933--938
Bohumir Jelinek and
Mohsen Eshraghi and
Sergio Felicelli and
John F. Peters Large-scale parallel lattice
Boltzmann-cellular automaton model of
two-dimensional dendritic growth . . . . 939--947
K. Jansen and
H. Leovey and
A. Ammon and
A. Griewank and
M. Müller-Preussker Quasi-Monte Carlo methods for lattice
systems: a first look . . . . . . . . . 948--959
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs\_3: a program for calculating
dark matter observables . . . . . . . . 960--985
Nabil L. Youssef and
S. G. Elgendi New Finsler package . . . . . . . . . . 986--997
J. Smiljani\'c and
M. Zezelj and
V. Milanovi\'c and
J. Radovanovi\'c and
I. Stankovi\'c MATLAB-based program for optimization of
quantum cascade laser active region
parameters and calculation of output
characteristics in magnetic field . . . 998--1006
A. Otero-de-la-Roza and
Erin R. Johnson and
Víctor Luaña Critic 2: a program for real-space
analysis of quantum chemical
interactions in solids . . . . . . . . . 1007--1018
Michele Ceriotti and
Joshua More and
David E. Manolopoulos i-PI: a Python interface for ab initio
path integral molecular dynamics
simulations . . . . . . . . . . . . . . 1019--1026
Stephen Oxburgh and
Tomás Tyc and
Johannes Courtial Dr TIM: Ray-tracer TIM, with additional
specialist scientific capabilities . . . 1027--1037
Yukihiro Komura and
Yutaka Okabe CUDA programs for the GPU computing of
the Swendsen--Wang multi-cluster spin
flip algorithm: $2$D and $3$D Ising,
Potts, and $ X Y $ models . . . . . . . 1038--1043
Bruno Golosio and
Tom Schoonjans and
Antonio Brunetti and
Piernicola Oliva and
Giovanni Luca Masala Monte Carlo simulation of X-ray imaging
and spectroscopy experiments using
quadric geometry and variance reduction
techniques . . . . . . . . . . . . . . . 1044--1052
S. Vanaverbeke and
R. Keppens and
S. Poedts GRADSPMHD: a parallel MHD code based on
the SPH formalism . . . . . . . . . . . 1053--1073
Upakarasamy Lourderaj and
Rui Sun and
Swapnil C. Kohale and
George L. Barnes and
Wibe A. de Jong and
Theresa L. Windus and
William L. Hase The VENUS/NWChem software package. Tight
coupling between chemical dynamics
simulations and electronic structure
theory . . . . . . . . . . . . . . . . . 1074--1080
J. Kaspar Elegent --- An elastic event generator 1081--1084
David Kauzlari\'c and
Marek Dynowski and
Lars Pastewka and
Andreas Greiner and
Jan G. Korvink SYMPLER: SYMbolic ParticLE simulatoR
with grid-computing interface . . . . . 1085--1099
Thomas Müller MPPhys --- a many-particle simulation
package for computational physics
education . . . . . . . . . . . . . . . 1100--1108
Toni Giorgino PLUMED-GUI: an environment for the
interactive development of molecular
dynamics analysis and biasing scripts 1109--1114
H. Carli and
L. G. S. Duarte and
L. A. C. P. da Mota A Maple package for improved global
mapping forecast . . . . . . . . . . . . 1115--1129
F. Lyonnet and
I. Schienbein and
F. Staub and
A. Wingerter PyR@TE: Renormalization group equations
for general gauge theories . . . . . . . 1130--1152
Peter Marquard and
Nikolai Zerf SLAM, a Mathematica interface for SUSY
spectrum generators . . . . . . . . . . 1153--1171
Nicholas V. Sarlis and
Stavros-Richard G. Christopoulos Visualization of the significance of
Receiver Operating Characteristics based
on confidence ellipses . . . . . . . . . 1172--1176
Ulrich Hohenester Simulating electron energy loss
spectroscopy with the MNPBEM toolbox . . 1177--1187
David A. Bonhommeau and
Marius Lewerenz and
Marie-Pierre Gaigeot MCMC$^2$ (version 1.1): a Monte Carlo
code for multiply-charged clusters . . . 1188--1191
Santos B. Yuste and
Joaquín Quintana-Murillo Corrigendum to ``A finite difference
method with non-uniform timesteps for
fractional diffusion equations''
[Comput. Phys. Comm. \bf 183 (12) (2012)
2594--2600] . . . . . . . . . . . . . . 1192--1192
Zhaopeng Zhong and
Alberto Talamo and
Yousry Gohar Corrigendum to ``Monte Carlo and
deterministic computational methods for
the calculation of the effective delayed
neutron fraction'' [Comput. Phys.
Commun. \bf 184 (2013) 1660--1665] . . . 1193--1193
A. Siegel and
K. Smith and
K. Felker and
P. Romano and
B. Forget and
P. Beckman Improved cache performance in Monte
Carlo transport calculations using
energy banding . . . . . . . . . . . . . 1195--1199
P. Amodio and
T. Levitina and
G. Settanni and
E. B. Weinmüller Numerical simulation of the whispering
gallery modes in prolate spheroids . . . 1200--1206
S. V. Dolgov and
B. N. Khoromskij and
I. V. Oseledets and
D. V. Savostyanov Computation of extreme eigenvalues in
higher dimensions using block tensor
train format . . . . . . . . . . . . . . 1207--1216
Guo-Kang Er Probabilistic solutions of some
multi-degree-of-freedom nonlinear
stochastic dynamical systems excited by
filtered Gaussian white noise . . . . . 1217--1222
C. Batistakis and
A. V. Lyulin Simulated glass transition in thin
polymer films: Influence of truncating
the non-bonded interaction potentials 1223--1229
Higinio Ramos and
J. Vigo-Aguiar A trigonometrically-fitted method with
two frequencies, one for the solution
and another one for the derivative . . . 1230--1236
Andrew J. Wickersham and
Xuesong Li and
Lin Ma Comparison of Fourier, principal
component and wavelet analyses for high
speed flame measurements . . . . . . . . 1237--1245
François Jollet and
Marc Torrent and
Natalie Holzwarth Generation of Projector Augmented-Wave
atomic data: a $ 71 $ element validated
table in the XML format . . . . . . . . 1246--1254
Xu Qian and
Songhe Song and
Yaming Chen A semi-explicit multi-symplectic
splitting scheme for a $3$-coupled
nonlinear Schrödinger equation . . . . . 1255--1264
Pedro Valero-Lara and
Alfredo Pinelli and
Manuel Prieto-Matias Fast finite difference Poisson solvers
on heterogeneous architectures . . . . . 1265--1272
Ilya Valuev and
Alexei Deinega and
Sergey Belousov Implementation of the iterative
finite-difference time-domain technique
for simulation of periodic structures at
oblique incidence . . . . . . . . . . . 1273--1281
Randhir Singh and
Jitendra Kumar An efficient numerical technique for the
solution of nonlinear singular boundary
value problems . . . . . . . . . . . . . 1282--1289
A. Bouazra and
S. Mnasri and
S. Abdi-Ben Nasrallah and
M. Said Numerical modeling of the InAs quantum
dot with application of coordinate
transformation and the finite difference
method . . . . . . . . . . . . . . . . . 1290--1298
José Wilson M. Pinto and
Luiz N. Oliveira Recursive computation of matrix elements
in the numerical renormalization group 1299--1309
E. Hirvijoki and
O. Asunta and
T. Koskela and
T. Kurki-Suonio and
J. Miettunen and
S. Sipilä and
A. Snicker and
S. Äkäslompolo ASCOT: Solving the kinetic equation of
minority particle species in tokamak
plasmas . . . . . . . . . . . . . . . . 1310--1321
Mihailo Backovi\'c and
José Juknevich TemplateTagger v1.0.0: a template
matching tool for jet substructure . . . 1322--1338
I. V. Grossu and
C. Besliu and
D. Felea and
Al. Jipa High precision framework for chaos
many-body engine . . . . . . . . . . . . 1339--1342
L. Yu. Barash and
L. N. Shchur PRAND: GPU accelerated parallel random
number generation library: Using most
reliable algorithms and applying
parallelism of modern GPUs and CPUs . . 1343--1353
Americo Cunha, Jr. and
Rafael Nasser and
Rubens Sampaio and
Hélio Lopes and
Karin Breitman Uncertainty quantification through the
Monte Carlo method in a cloud computing
setting . . . . . . . . . . . . . . . . 1355--1363
Tarcísio M. Rocha Filho Molecular dynamics for long-range
interacting systems on graphic
processing units . . . . . . . . . . . . 1364--1369
C. Alexandrou and
M. Constantinou and
V. Drach and
K. Hadjiyiannakou and
K. Jansen and
G. Koutsou and
A. Strelchenko and
A. Vaquero Evaluation of disconnected quark loops
for hadron structure using GPUs . . . . 1370--1382
I-Lin Ho and
Chung-Hsien Chou and
Yia-Chung Chang Theoretical study of electronic
transport through quasicrystalline
nanotubes using mesh inflation approach 1383--1388
Kyle Jay Michel and
C. Wolverton Symmetry building Monte Carlo-based
crystal structure prediction . . . . . . 1389--1393
M. Bilal and
Banaras Khan and
H. A. Rahnamaye Aliabad and
M. Maqbool and
S. Jalai Asadabadi and
I. Ahmad Thermoelectric properties of SbNCa$_3$
and BiNCa$_3$ for thermoelectric devices
and alternative energy applications . . 1394--1398
Wenting Shao and
Xionghua Wu The numerical solution of the nonlinear
Klein--Gordon and Sine-Gordon equations
using the Chebyshev tau meshless method 1399--1409
D. A. Pigg and
A. S. Umar and
V. E. Oberacker Eulerian rotations of deformed nuclei
for TDDFT calculations . . . . . . . . . 1410--1414
E. C. Howell and
C. R. Sovinec Solving the Grad--Shafranov equation
with spectral elements . . . . . . . . . 1415--1421
Ken-Ming Lin and
Yu-Hui Huang and
W. S. Su and
T. C. Leung Strain effects on the band gap and work
function of zigzag single-walled carbon
nanotubes and graphene: a comparative
study . . . . . . . . . . . . . . . . . 1422--1428
D. Tapiador and
W. O'Mullane and
A. G. A. Brown and
X. Luri and
E. Huedo and
P. Osuna A framework for building hypercubes
using MapReduce . . . . . . . . . . . . 1429--1438
Rui Jiang and
Mao-Bin Hu and
Bin Jia and
Zi-You Gao A new mechanism for metastability of
under-saturated traffic responsible for
time-delayed traffic breakdown at the
signal . . . . . . . . . . . . . . . . . 1439--1442
Z. Bern and
L. J. Dixon and
F. Febres Cordero and
S. Höche and
H. Ita and
D. A. Kosower and
D. Ma\^\itre Ntuples for NLO events at hadron
colliders . . . . . . . . . . . . . . . 1443--1460
Asif Mushtaq and
Kåre Olaussen Automatic code generator for higher
order integrators . . . . . . . . . . . 1461--1472
Philipp Kant Finding linear dependencies in
integration-by-parts equations: a Monte
Carlo approach . . . . . . . . . . . . . 1473--1476
Andrew J. Morris and
Rebecca J. Nicholls and
Chris J. Pickard and
Jonathan R. Yates OptaDOS: a tool for obtaining density of
states, core-level and optical spectra
from electronic structure codes . . . . 1477--1485
Daisuke Nishiura and
Miki Y. Matsuo and
Hide Sakaguchi ppohDEM: Computational performance for
open source code of the discrete element
method . . . . . . . . . . . . . . . . . 1486--1495
J. Avellar and
M. S. Cardoso and
L. G. S. Duarte and
L. A. C. P. da Mota Determining Liouvillian first integrals
for dynamical systems in the plane and
an integrability analysis . . . . . . . 1496--1497
C. Schimeczek and
D. Engel and
G. Wunner A highly optimized code for calculating
atomic data at neutron star magnetic
field strengths using a doubly
self-consistent Hartree--Fock--Roothaan
method . . . . . . . . . . . . . . . . . 1498--1499
Sebastian Wouters and
Ward Poelmans and
Paul W. Ayers and
Dimitri Van Neck CheMPS2: a free open-source spin-adapted
implementation of the density matrix
renormalization group for ab initio
quantum chemistry . . . . . . . . . . . 1501--1514
Ameneh Taleei and
Mehdi Dehghan Time-splitting pseudo-spectral domain
decomposition method for the soliton
solutions of the one- and
multi-dimensional nonlinear Schrödinger
equations . . . . . . . . . . . . . . . 1515--1528
T. Fritzsche and
T. Hahn and
S. Heinemeyer and
F. von der Pahlen and
H. Rzehak and
C. Schappacher The implementation of the renormalized
complex MSSM in FeynArts and FormCalc 1529--1545
Pierre de Buyl and
Peter H. Colberg and
Felix Höfling H5MD: a structured, efficient, and
portable file format for molecular data 1546--1553
Nathan J. Quinlan and
Libor Lobovský and
Ruairi M. Nestor Development of the meshless finite
volume particle method with exact and
efficient calculation of interparticle
area . . . . . . . . . . . . . . . . . . 1554--1563
Tzu-Liang Chan and
Alex J. Lee and
James R. Chelikowsky An effective capacitance model for
computing the electronic properties of
charged defects in crystals . . . . . . 1564--1569
Csaba Nemes and
Gergely Barcza and
Zoltán Nagy and
Örs Legeza and
Péter Szolgay The density matrix renormalization group
algorithm on kilo-processor
architectures: Implementation and
trade-offs . . . . . . . . . . . . . . . 1570--1581
Naofumi Kitsunezaki and
Atsushi Okabe Higher-order correction to the FDTD
method based on the integral form of
Maxwell's equations . . . . . . . . . . 1582--1588
V. Ledoux and
M. Van Daele The accurate numerical solution of the
Schrödinger equation with an explicitly
time-dependent Hamiltonian . . . . . . . 1589--1594
Ales Vítek and
René Kalus Two-dimensional multiple-histogram
method applied to isothermal-isobaric
Monte Carlo simulations of molecular
clusters . . . . . . . . . . . . . . . . 1595--1605
Hongwei Li and
Xiaonan Wu and
Jiwei Zhang Local artificial boundary conditions for
Schrödinger and heat equations by using
high-order azimuth derivatives on
circular artificial boundary . . . . . . 1606--1615
Ozlem Ozgun and
Mustafa Kuzuoglu A coordinate transformation approach for
efficient repeated solution of Helmholtz
equation pertaining to obstacle
scattering by shape deformations . . . . 1616--1627
James Tickner Arbitrary perturbations in Monte Carlo
neutral-particle transport . . . . . . . 1628--1638
Guido Falk von Rudorff and
Christoph Wehmeyer and
Daniel Sebastiani Efficient implementation and application
of the artificial bee colony algorithm
to low-dimensional optimization problems 1639--1646
Valerio Bertone and
Stefano Carrazza and
Juan Rojo APFEL: a PDF evolution library with QED
corrections . . . . . . . . . . . . . . 1647--1668
S. R. Haskey and
B. D. Blackwell and
D. G. Pretty Clustering of periodic multichannel
timeseries data with application to
plasma fluctuations . . . . . . . . . . 1669--1680
Alejandro M. Aragón A C++11 implementation of arbitrary-rank
tensors for high-performance computing 1681--1696
S. Fritzsche The Feynman tools for quantum
information processing: Design and
implementation . . . . . . . . . . . . . 1697--1718
Teake Nutma xTras: a field-theory inspired xAct
package for Mathematica . . . . . . . . 1719--1738
Qingang Xiong and
Soroush Aramideh and
Alberto Passalacqua and
Song-Charng Kong BIOTC: an open-source CFD code for
simulating biomass fast pyrolysis . . . 1739--1746
Wu Li and
Jesús Carrete and
Nebil A. Katcho and
Natalio Mingo ShengBTE: a solver of the Boltzmann
transport equation for phonons . . . . . 1747--1758
Maciej Rybczy\'nski and
Grzegorz Stefanek and
Wojciech Broniowski and
Piotr Bozek GLISSANDO 2: GLauber Initial-State
Simulation AND mOre\ldots, ver. 2 . . . 1759--1772
Florian Staub SARAH 4: a tool for (not only SUSY)
model builders . . . . . . . . . . . . . 1773--1790
Cathal Ó Broin and
L. A. A. Nikolopoulos A GPGPU based program to solve the TDSE
in intense laser fields through the
finite difference approach . . . . . . . 1791--1807
T. Niksi\'c and
N. Paar and
D. Vretenar and
P. Ring DIRHB --- a relativistic self-consistent
mean-field framework for atomic nuclei 1808--1821
Pierre de Buyl The vmf90 program for the numerical
resolution of the Vlasov equation for
mean-field systems . . . . . . . . . . . 1822--1827
J. Ph. Guillet and
G. Heinrich and
J. F. von Soden-Fraunhofen Tools for NLO automation: Extension of
the \tt golem95C integral library . . . 1828--1834
Tobias Toll and
Thomas Ullrich The dipole model Monte Carlo generator
Sar $t$ re 1 . . . . . . . . . . . . . . 1835--1853
G. Opletal and
T. C. Petersen and
S. P. Russo HRMC\_2.1: Hybrid Reverse Monte Carlo
method with silicon, carbon, germanium
and silicon carbide potentials . . . . . 1854--1855
Bertrand Rouet-Leduc and
Kipton Barros and
Emmanuel Cieren and
Venmugil Elango and
Christoph Junghans and
Turab Lookman and
Jamaludin Mohd-Yusof and
Robert S. Pavel and
Axel Y. Rivera and
Dominic Roehm and
Allen L. McPherson and
Timothy C. Germann Spatial adaptive sampling in multiscale
simulation . . . . . . . . . . . . . . . 1857--1864
J. E. McClure and
J. F. Prins and
C. T. Miller A novel heterogeneous algorithm to
simulate multiphase flow in porous media
on multicore CPU--GPU systems . . . . . 1865--1874
Kai Kratzer and
Joshua T. Berryman and
Aaron Taudt and
Johannes Zeman and
Axel Arnold The Flexible Rare Event Sampling Harness
System (FRESHS) . . . . . . . . . . . . 1875--1885
Wei Choon Tay and
Eng Leong Tan Pentadiagonal
alternating-direction-implicit
finite-difference time-domain method for
two-dimensional Schrödinger equation . . 1886--1892
Zhong-Li Liu Muse: Multi-algorithm collaborative
crystal structure prediction . . . . . . 1893--1900
Un-Hong Wong and
Takayuki Aoki and
Hon-Cheng Wong Efficient magnetohydrodynamic
simulations on distributed multi-GPU
systems using a novel GPU Direct-MPI
hybrid approach . . . . . . . . . . . . 1901--1913
D. Melazzi and
V. Lancellotti ADAMANT: a surface and volume
integral-equation solver for the
analysis and design of helicon plasma
sources . . . . . . . . . . . . . . . . 1914--1925
Pjotrs Grisins and
Igor E. Mazets Metropolis--Hastings thermal state
sampling for numerical simulations of
Bose--Einstein condensates . . . . . . . 1926--1931
Attila Boer GPU-based simulation of the long-range
Potts model via parallel tempering . . . 1932--1937
H. Doerk and
F. Jenko Towards optimal explicit time-stepping
schemes for the gyrokinetic equations 1938--1946
Sunil Kumar and
Mohammad Mehdi Rashidi New analytical method for gas dynamics
equation arising in shock fronts . . . . 1947--1954
F. D. Colavecchia Accelerating spectral atomic and
molecular collisions methods with
graphics processing units . . . . . . . 1955--1964
Xueshang Feng and
Changqing Xiang and
Dingkun Zhong and
Yufen Zhou and
Liping Yang and
Xiaopeng Ma SIP--CESE MHD model of solar wind with
adaptive mesh refinement of hexahedral
meshes . . . . . . . . . . . . . . . . . 1965--1980
Cedric Schreiner and
Felix Spanier Wave-particle-interaction in kinetic
plasmas . . . . . . . . . . . . . . . . 1981--1986
James P. Larentzos and
John K. Brennan and
Joshua D. Moore and
Martin Lísal and
William D. Mattson Parallel implementation of isothermal
and isoenergetic Dissipative Particle
Dynamics using Shardlow-like splitting
algorithms . . . . . . . . . . . . . . . 1987--1998
Kai Liu and
Xinyuan Wu Multidimensional ARKN methods for
general oscillatory second-order initial
value problems . . . . . . . . . . . . . 1999--2007
S. Gowrisankar and
Srinivasan Natesan Robust numerical scheme for singularly
perturbed convection-diffusion parabolic
initial-boundary-value problems on
equidistributed grids . . . . . . . . . 2008--2019
Weipeng Hu and
Zichen Deng and
Yu Zhang Multi-symplectic method for
peakon--antipeakon collision of
quasi-Degasperis--Procesi equation . . . 2020--2028
H. Wan Chan Tseung and
C. Beltran A graphics processor-based intranuclear
cascade and evaporation simulation . . . 2029--2033
A. Idesman and
D. Pham Accurate finite element modeling of
acoustic waves . . . . . . . . . . . . . 2034--2045
A. Valentim and
M. G. E. da Luz and
Carlos E. Fiore Determining efficient temperature sets
for the simulated tempering method . . . 2046--2055
M. Petran and
J. Letessier and
J. Rafelski and
G. Torrieri SHARE with CHARM . . . . . . . . . . . . 2056--2079
Xiaochuan Ge and
Simon J. Binnie and
Dario Rocca and
Ralph Gebauer and
Stefano Baroni turboTDDFT 2.0-Hybrid functionals and
new algorithms within time-dependent
density-functional perturbation theory 2080--2089
A. V. Smirnov FIESTA 3: Cluster-parallelizable
multiloop numerical calculations in
physical regions . . . . . . . . . . . . 2090--2100
Danilo T. Alves and
Edney R. Granhen A computer algebra package for
calculation of the energy density
produced via the dynamical Casimir
effect in one-dimensional cavities . . . 2101--2114
Luigi Del Debbio and
Nathan Hartland and
Steffen Schumann MCgrid: Projecting cross section
calculations on grids . . . . . . . . . 2115--2126
E. Akhmatskaya and
D. Sokolovski and
C. Echeverría-Arrondo Numerical Regge pole analysis of
resonance structures in elastic,
inelastic and reactive state-to-state
integral cross sections . . . . . . . . 2127--2137
Max J. Hoffmann and
Sebastian Matera and
Karsten Reuter kmos: a lattice kinetic Monte Carlo
framework . . . . . . . . . . . . . . . 2138--2150
S. Zaghi OFF, Open source Finite volume Fluid
dynamics code: a free, high-order solver
based on parallel, modular,
object-oriented Fortran API . . . . . . 2151--2194
J. A. Maruhn and
P.-G. Reinhard and
P. D. Stevenson and
A. S. Umar The TDHF code Sky3D . . . . . . . . . . 2195--2216
P. E. Hadjidoukas and
P. Angelikopoulos and
C. Voglis and
D. G. Papageorgiou and
I. E. Lagaris NDL-v2.0: a new version of the numerical
differentiation library for parallel
architectures . . . . . . . . . . . . . 2217--2219
Jeremy Witzens Ab initio calculation of the deformation
potential and photoelastic coefficients
of silicon with a non-uniform
finite-difference solver based on the
local density approximation . . . . . . 2221--2231
Rafael B. Frigori Nonextensive lattice gauge theories:
Algorithms and methods . . . . . . . . . 2232--2239
Hong-lin Liao and
Han-sheng Shi and
Ying Zhao Numerical study of fourth-order
linearized compact schemes for
generalized NLS equations . . . . . . . 2240--2249
Adam Alloul and
Neil D. Christensen and
Céline Degrande and
Claude Duhr and
Benjamin Fuks FeynRules 2.0: A complete toolbox for
tree-level phenomenology . . . . . . . . 2250--2300
Thomas Müller GeoViS --- Relativistic ray tracing in
four-dimensional spacetimes . . . . . . 2301--2308
Arash A. Mostofi and
Jonathan R. Yates and
Giovanni Pizzi and
Young-Su Lee and
Ivo Souza and
David Vanderbilt and
Nicola Marzari An updated version of wannier90: a tool
for obtaining maximally-localised
Wannier functions . . . . . . . . . . . 2309--2310
Giovanni Pizzi and
Dmitri Volja and
Boris Kozinsky and
Marco Fornari and
Nicola Marzari An updated version of BoltzWann: a code
for the evaluation of thermoelectric and
electronic transport properties with a
maximally-localized Wannier functions
basis . . . . . . . . . . . . . . . . . 2311--2312
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Seikichi Matsuoka and
Shinsuke Satake Application of an improved
control-variate scheme to local
neoclassical transport simulations . . . 2313--2321
B. C. Allanach and
P. Athron and
Lewis C. Tunstall and
A. Voigt and
A. G. Williams Next-to-minimal SOFTSUSY . . . . . . . . 2322--2339
Mikael Leetmaa and
Natalia V. Skorodumova KMCLib: a general framework for lattice
kinetic Monte Carlo (KMC) simulations 2340--2349
M. Januszewski and
M. Kostur Sailfish: a flexible multi-GPU
implementation of the lattice Boltzmann
method . . . . . . . . . . . . . . . . . 2350--2368
P. Halder and
A. Chakraborty and
P. Deb Roy and
H. S. Das Java application for the superposition
$T$-matrix code to study the optical
properties of cosmic dust aggregates . . 2369--2379
Raimar Sandner and
András Vukics C++QEDv2 Milestone 10: a C++/Python
application-programming framework for
simulating open quantum dynamics . . . . 2380--2382
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
R. F. Abdul and
R. L. Mace A method to generate kappa distributed
random deviates for particle-in-cell
simulations . . . . . . . . . . . . . . 2383--2386
Zhong Peng and
Hong Wei Yang and
Rui Weng and
Yingjie Gao and
Ze Kun Yang A research on the CN-ICCG-FDTD algorithm
of plasma photonic crystals and the
transmission coefficient of
electromagnetic wave . . . . . . . . . . 2387--2390
G. Chen and
L. Chacón An energy- and charge-conserving,
nonlinearly implicit, electromagnetic
$1$D-3V Vlasov--Darwin particle-in-cell
algorithm . . . . . . . . . . . . . . . 2391--2402
Wenjun Cai and
Yushun Wang and
Yongzhong Song Derivation of the multisymplectic
Crank--Nicolson scheme for the nonlinear
Schrödinger equation . . . . . . . . . . 2403--2411
K. C. Ng and
Y. H. Hwang and
T. W. H. Sheu On the accuracy assessment of Laplacian
models in MPS . . . . . . . . . . . . . 2412--2426
J. M. Sellier and
I. Dimov The Wigner--Boltzmann Monte Carlo method
applied to electron transport in the
presence of a single dopant . . . . . . 2427--2435
Andreas Eitzlmayr and
Gerold Koscher and
Johannes Khinast A novel method for modeling of complex
wall geometries in smoothed particle
hydrodynamics . . . . . . . . . . . . . 2436--2448
Shuying Zhai and
Xinlong Feng and
Yinnian He Numerical simulation of the three
dimensional Allen--Cahn equation by the
high-order compact ADI method . . . . . 2449--2455
S. J. Eder and
D. Bianchi and
U. Cihak-Bayr and
A. Vernes and
G. Betz An analysis method for atomistic
abrasion simulations featuring rough
surfaces and multiple abrasive particles 2456--2466
Ye Fang and
Sheng Feng and
Ka-Ming Tam and
Zhifeng Yun and
Juana Moreno and
J. Ramanujam and
Mark Jarrell Parallel tempering simulation of the
three-dimensional Edwards--Anderson
model with compact asynchronous
multispin coding on GPU . . . . . . . . 2467--2478
Jerome P. Nilmeier and
Jaime Marian A rigorous sequential update strategy
for parallel kinetic Monte Carlo
simulation . . . . . . . . . . . . . . . 2479--2486
Benjamin Ragan-Kelley and
John P. Verboncoeur and
Ming-Chieh Lin Optimizing physical parameters in $1$-D
particle-in-cell simulations with Python 2487--2494
M. Bernaschi and
M. Bisson and
F. Salvadore Multi-Kepler GPU vs. multi-Intel MIC for
spin systems simulations . . . . . . . . 2495--2503
Yi-An Huang and
Yu-Ting Hung and
Snow H. Tseng An optical target to eliminate impinging
light in a light scattering simulation 2504--2509
Walter Rodrigues and
A. Pecchia and
M. Lopez and
M. Auf der Maur and
A. Di Carlo Accelerating atomistic calculations of
quantum energy eigenstates on graphic
cards . . . . . . . . . . . . . . . . . 2510--2518
M. Robinson and
N. A. Marks NanoCap: a framework for generating
capped carbon nanotubes and fullerenes 2519--2526
J. M. Franco and
I. Gómez and
L. Rández Optimization of explicit two-step hybrid
methods for solving orbital and
oscillatory problems . . . . . . . . . . 2527--2537
Andrea Lani and
Mehmet Sarp Yalim and
Stefaan Poedts A GPU-enabled Finite Volume solver for
global magnetospheric simulations on
unstructured grids . . . . . . . . . . . 2538--2557
Miguel Cárdenas-Montes and
Juan José Rodríguez-Vázquez and
Miguel A. Vega-Rodríguez and
Ignacio Sevilla-Noarbe and
Eusebio Sánchez Alvaro Performance and precision of histogram
calculation on GPUs: Cosmological
analysis as a case study . . . . . . . . 2558--2565
Mark J. Mawson and
Alistair J. Revell Memory transfer optimization for a
lattice Boltzmann solver on Kepler
architecture nVidia GPUs . . . . . . . . 2566--2574
Yousuke Ohno and
Rio Yokota and
Hiroshi Koyama and
Gentaro Morimoto and
Aki Hasegawa and
Gen Masumoto and
Noriaki Okimoto and
Yoshinori Hirano and
Huda Ibeid and
Tetsu Narumi and
Makoto Taiji Petascale molecular dynamics simulation
using the fast multipole method on K
computer . . . . . . . . . . . . . . . . 2575--2585
Ulf D. Schiller A unified operator splitting approach
for multi-scale fluid-particle coupling
in the lattice Boltzmann method . . . . 2586--2597
Jungpyo Lee and
John C. Wright A block-tridiagonal solver with
two-level parallelization for finite
element-spectral codes . . . . . . . . . 2598--2608
M. Antuono and
B. Bouscasse and
A. Colagrossi and
S. Marrone A measure of spatial disorder in
particle methods . . . . . . . . . . . . 2609--2621
S. Safaei Arshi and
A. Zolfaghari and
S. M. Mirvakili A multi-objective shuffled frog leaping
algorithm for in-core fuel management
optimization . . . . . . . . . . . . . . 2622--2628
S. V. Chekanov and
E. May and
K. Strand and
P. Van Gemmeren ProMC: Input-output data format for HEP
applications using varint encoding . . . 2629--2635
A. A. Gusev and
O. Chuluunbaatar and
S. I. Vinitsky and
A. G. Abrashkevich POTHEA: a program for computing
eigenvalues and eigenfunctions and their
first derivatives with respect to the
parameter of the parametric
self-adjoined $2$D elliptic partial
differential equation . . . . . . . . . 2636--2654
C. Schimeczek and
G. Wunner Multi-electron systems in strong
magnetic fields I: the $2$D
Landau--Hartree--Fock--Roothaan method 2655--2662
E. Francisco and
A. Martín Pendás Electron number distribution functions
from molecular wavefunctions. Version 2 2663--2682
M. Molero-Armenta and
Ursula Iturrarán-Viveros and
S. Aparicio and
M. G. Hernández Optimized OpenCL implementation of the
Elastodynamic Finite Integration
Technique for viscoelastic media . . . . 2683--2696
A. H. Markosyan and
A. Luque and
F. J. Gordillo-Vázquez and
U. Ebert PumpKin: a tool to find principal
pathways in plasma chemical models . . . 2697--2702
Stephan Buehler and
Claude Duhr CHAPLIN-Complex Harmonic Polylogarithms
in Fortran . . . . . . . . . . . . . . . 2703--2713
Xin Guan and
Kristina D. Launey and
Mingxia Xie and
Lina Bao and
Feng Pan and
Jerry P. Draayer Numerical algorithm for the standard
pairing problem based on the
Heine--Stieltjes correspondence and the
polynomial approach . . . . . . . . . . 2714--2723
Israel Joel Koenka and
Jorge Sáiz and
Peter C. Hauser Instrumentino: an open-source modular
Python framework for controlling Arduino
based experimental instruments . . . . . 2724--2729
Chun Shen and
Fengxian Sun and
Xinlin Xia Implementation of density-based solver
for all speeds in the framework of
OpenFOAM . . . . . . . . . . . . . . . . 2730--2741
Koki Murano and
Tomoyoshi Shimobaba and
Atsushi Sugiyama and
Naoki Takada and
Takashi Kakue and
Minoru Oikawa and
Tomoyoshi Ito Fast computation of computer-generated
hologram using Xeon Phi coprocessor . . 2742--2757
J. J. Galiana-Merino and
C. Pla and
A. Fernandez-Cortes and
S. Cuezva and
J. Ortiz and
D. Benavente EnvironmentalWaveletTool: Continuous and
discrete wavelet analysis and filtering
for environmental time series . . . . . 2758--2770
Tiziano Peraro Ninja: Automated integrand reduction via
Laurent expansion for one-loop
amplitudes . . . . . . . . . . . . . . . 2771--2797
Thomas Müller Motion4D-library extended . . . . . . . 2798--2799
I. M. Sitnik Development of the FUMILI minimization
package . . . . . . . . . . . . . . . . 2800--2800
Mikhail S. Litsarev and
Ivan V. Oseledets The DEPOSIT computer code based on the
low rank approximations . . . . . . . . 2801--2802
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Hanquan Wang and
Zhiguo Xu Projection gradient method for energy
functional minimization with a
constraint and its application to
computing the ground state of
spin-orbit-coupled Bose--Einstein
condensates . . . . . . . . . . . . . . 2803--2808
Yu-Hang Tang and
George Em Karniadakis Accelerating dissipative particle
dynamics simulations on GPUs:
Algorithms, numerics and applications 2809--2822
Yu-Qing Wang and
Rui Jiang and
Mao-Bin Hu and
Qing-Song Wu Phase transition in a mesoscopic ring
with multiple diffusive channels . . . . 2823--2828
Iftikhar Ahmad and
Muhammad Maqbool Investigation of the optical properties
of P, As and Sb incorporated AlGaX
alloys using full potential linearized
augmented plane wave method . . . . . . 2829--2833
Ch. Tsitouras and
V. N. Katsikis Bounds for variable degree rational $
L_\infty $ approximations to the matrix
cosine . . . . . . . . . . . . . . . . . 2834--2840
Hongli Yang and
Xianyang Zeng and
Xinyuan Wu and
Zhengliang Ru A simplified Nyström-tree theory for
extended Runge--Kutta--Nyström
integrators solving multi-frequency
oscillatory systems . . . . . . . . . . 2841--2850
E. G. Evstatiev Application of the phase space action
principle to finite-size particle plasma
simulations in the drift-kinetic
approximation . . . . . . . . . . . . . 2851--2858
Nabil L. Youssef and
S. G. Elgendi Computing nullity and kernel vectors
using NF-package: Counterexamples . . . 2859--2864
L. Einkemmer and
M. Wiesenberger A conservative discontinuous Galerkin
scheme for the $2$D incompressible
Navier--Stokes equations . . . . . . . . 2865--2873
Iulian Petrila and
Vasile Manta Metropolis Monte Carlo analysis of
all-optical switching . . . . . . . . . 2874--2878
S. V. Utyuzhnikov Towards development of unsteady
near-wall interface boundary conditions
for turbulence modeling . . . . . . . . 2879--2884
Jesper Kristensen and
Nicholas J. Zabaras Bayesian uncertainty quantification in
the evaluation of alloy properties with
the cluster expansion method . . . . . . 2885--2892
Jakub Benda and
Karel Houfek Collisions of electrons with hydrogen
atoms I. Package outline and high energy
code . . . . . . . . . . . . . . . . . . 2893--2902
Jakub Benda and
Karel Houfek Collisions of electrons with hydrogen
atoms II. Low-energy program using the
method of the exterior complex scaling 2903--2912
K. Pachucki and
M. Puchalski and
V. A. Yerokhin Extended Gaussian quadratures for
functions with an end-point singularity
of logarithmic type . . . . . . . . . . 2913--2919
C. Paissoni and
D. Spiliotopoulos and
G. Musco and
A. Spitaleri GMXPBSA 2.0: a GROMACS tool to perform
MM/PBSA and computational alanine
scanning . . . . . . . . . . . . . . . . 2920--2929
Michal Czakon and
Alexander Mitov Top++: a program for the calculation of
the top-pair cross-section at hadron
colliders . . . . . . . . . . . . . . . 2930--2938
Lu-Ping Wan and
Jian-Xiong Wang FDCHQHP: a Fortran package for heavy
quarkonium hadroproduction . . . . . . . 2939--2949
Yi Wang and
Long-Qing Chen and
Zi-Kui Liu YPHON: a package for calculating phonons
of polar materials . . . . . . . . . . . 2950--2968
Xavier Antoine and
Romain Duboscq GPELab, a Matlab toolbox to solve
Gross--Pitaevskii equations I:
Computation of stationary solutions . . 2969--2991
S. Boblest and
D. Meyer and
G. Wunner Multi-electron systems in strong
magnetic fields II: a fixed-phase
diffusion quantum Monte Carlo
application based on trial functions
from a Hartree--Fock--Roothaan method 2992--3000
Andrzej Daniluk RHEED intensities from two-dimensional
heteroepitaxial nanoscale systems . . . 3001--3009
Joseph E. Curtis and
Hailiang Zhang and
Hirsh Nanda SLDMOL: a tool for the structural
characterization of thermally disordered
membrane proteins . . . . . . . . . . . 3010--3015
Iu. Karpenko and
P. Huovinen and
M. Bleicher A $ 3 + 1 $ dimensional viscous
hydrodynamic code for relativistic heavy
ion collisions . . . . . . . . . . . . . 3016--3027
F. D. Witherden and
A. M. Farrington and
P. E. Vincent PyFR: an open source framework for
solving advection-diffusion type
problems on streaming architectures
using the flux reconstruction approach 3028--3040
Vladimir V. Bytev and
Mikhail Yu. Kalmykov and
Sven-Olaf Moch HYPERgeometric functions DIfferential
REduction (HYPERDIRE): MATHEMATICA based
packages for differential reduction of
generalized hypergeometric functions: $
F_D $ and $ F_S $ Horn-type
hypergeometric functions of three
variables . . . . . . . . . . . . . . . 3041--3058
I. V. Grossu and
D. Felea and
Al. Jipa and
C. Besliu and
E. Stan and
O. Ristea and
C. Ristea and
M. Calin and
T. Esanu and
C. Bordeianu and
N. Tuturas CMBE v05-Implementation of a toy-model
for chaos analysis of relativistic
nuclear collisions at the present BNL
energies . . . . . . . . . . . . . . . . 3059--3061
A. Stepsys and
S. Mickevicius and
D. Germanas and
R. K. Kalinauskas HOTB: High precision parallel code for
calculation of four-particle harmonic
oscillator transformation brackets . . . 3062--3064
Alejandro M. Aragón A C++11 implementation of arbitrary-rank
tensors for high-performance computing 3065--3066
B. Mohammed-Azizi and
D. E. Medjadi Single particle calculations for a
Woods--Saxon potential with triaxial
deformations, and large Cartesian
oscillator basis (TRIAXIAL 2014, Third
version of the code Triaxial) . . . . . 3067--3068
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Sibo Wang and
Junbo Xu and
Hao Wen The aggregation and diffusion of
asphaltenes studied by GPU-accelerated
dissipative particle dynamics . . . . . 3069--3078
Dmitry S. Efremenko and
Diego G. Loyola and
Adrian Doicu and
Robert J. D. Spurr Multi-core-CPU and GPU-accelerated
radiative transfer models based on the
discrete ordinate method . . . . . . . . 3079--3089
Diego González and
Sergio Davis Fitting of interatomic potentials
without forces: a parallel particle
swarm optimization algorithm . . . . . . 3090--3093
Omar Ramadan Unconditionally stable split-step finite
difference time domain formulations for
double-dispersive electromagnetic
materials . . . . . . . . . . . . . . . 3094--3098
Xiaopeng Luo and
Zhenzhou Lu and
Xin Xu Reproducing kernel technique for high
dimensional model representations (HDMR) 3099--3108
Hylke C. Donker and
Hans De Raedt and
Kristel Michielsen Event-by-event simulation of a quantum
delayed-choice experiment . . . . . . . 3109--3118
N. Yahyaoui and
N. Sfina and
S. Abdi-Ben Nasrallah and
J.-L. Lazzari and
M. Said Electron transport through cubic
InGaN/AlGaN resonant tunneling diodes 3119--3126
D. Pfefferlé and
W. A. Cooper and
J. P. Graves and
C. Misev VENUS--LEVIS and its spline-Fourier
interpolation of $3$D toroidal magnetic
field representation for guiding-centre
and full-orbit simulations of charged
energetic particles . . . . . . . . . . 3127--3140
Yuri Eremin and
Thomas Wriedt New scheme of the Discrete Sources
Method for light scattering analysis of
a particle breaking interface . . . . . 3141--3150
Z. Kalogiratou and
Th. Monovasilis and
T. E. Simos A fourth order modified
trigonometrically fitted symplectic
Runge--Kutta--Nyström method . . . . . . 3151--3155
Ellen Fischermeier and
Dominik Bartuschat and
Tobias Preclik and
Matthieu Marechal and
Klaus Mecke Simulation of a hard-spherocylinder
liquid crystal with the pe . . . . . . . 3156--3161
Venera Khoromskaia and
Boris N. Khoromskij Grid-based lattice summation of
electrostatic potentials by assembled
rank-structured tensor approximation . . 3162--3174
Johannes M. Dieterich and
David B. Krisiloff and
Alexander Gaenko and
Florian Libisch and
Theresa L. Windus and
Mark S. Gordon and
Emily A. Carter Shared-memory parallelization of a local
correlation multi-reference CI program 3175--3188
Jacek Narski and
Maurizio Ottaviani Asymptotic Preserving scheme for
strongly anisotropic parabolic equations
for arbitrary anisotropy direction . . . 3189--3203
D. P. Starinshak and
J. M. Owen and
J. N. Johnson A new parallel algorithm for
constructing Voronoi tessellations from
distributed input data . . . . . . . . . 3204--3214
Grigor Aslanyan Cosmo++: an object-oriented C++ library
for cosmology . . . . . . . . . . . . . 3215--3227
Andreas Krämer and
Marco Hülsmann and
Thorsten Köddermann and
Dirk Reith Automated parameterization of
intermolecular pair potentials using
global optimization techniques . . . . . 3228--3239
Valentin V. Karasiev and
Travis Sjostrom and
S. B. Trickey Finite-temperature orbital-free DFT
molecular dynamics: Coupling Profess and
Quantum Espresso . . . . . . . . . . . . 3240--3249
Bernd A. Berg Detection of a small shift in a broad
distribution . . . . . . . . . . . . . . 3250--3258
Kolahal Bhattacharya and
Arnab K. Pal and
Gobinda Majumder and
Naba K. Mondal Error propagation of the track model and
track fitting strategy for the Iron
CALorimeter detector in India-based
neutrino observatory . . . . . . . . . . 3259--3268
Orlando Ayala and
Hossein Parishani and
Liu Chen and
Bogdan Rosa and
Lian-Ping Wang DNS of hydrodynamically interacting
droplets in turbulent clouds: Parallel
implementation and scalability analysis
using $2$D domain decomposition . . . . 3269--3290
B. Ph. van Milligen and
P. D. Bons Simplified numerical model for
clarifying scaling behavior in the
intermediate dispersion regime in
homogeneous porous media . . . . . . . . 3291--3301
Colin W. Glass and
Steffen Reiser and
Gábor Rutkai and
Stephan Deublein and
Andreas Köster and
Gabriela Guevara-Carrion and
Amer Wafai and
Martin Horsch and
Martin Bernreuther and
Thorsten Windmann and
Hans Hasse and
Jadran Vrabec ms2: a molecular simulation tool for
thermodynamic properties, new version
release . . . . . . . . . . . . . . . . 3302--3306
T. Loke and
J. B. Wang and
Y. H. Chen OptQC: an optimized parallel quantum
compiler . . . . . . . . . . . . . . . . 3307--3316
Michael Borinsky Feynman graph generation and
calculations in the Hopf algebra of
Feynman graphs . . . . . . . . . . . . . 3317--3330
A. Gehrmann-De Ridder and
T. Gehrmann and
E. W. N. Glover and
G. Heinrich EERAD3: Event shapes and jet rates in
electron-positron annihilation at order
$ \alpha_s^3 $ . . . . . . . . . . . . . 3331--3340
A. A. Gusev and
O. Chuluunbaatar and
S. I. Vinitsky and
A. G. Abrashkevich KANTBP 3.0: New version of a program for
computing energy levels, reflection and
transmission matrices, and corresponding
wave functions in the coupled-channel
adiabatic approach . . . . . . . . . . . 3341--3343
Huy Nguyen and
Hao Shi and
Jie Xu and
Shiwei Zhang CPMC-Lab: a Matlab package for
Constrained Path Monte Carlo
calculations . . . . . . . . . . . . . . 3344--3357
L. Orgogozo and
N. Renon and
C. Soulaine and
F. Hénon and
S. K. Tomer and
D. Labat and
O. S. Pokrovsky and
M. Sekhar and
R. Ababou and
M. Quintard An open source massively parallel solver
for Richards equation: Mechanistic
modelling of water fluxes at the
watershed scale . . . . . . . . . . . . 3358--3371
J. Baglio and
R. Gröber and
M. Mühlleitner and
D. T. Nhung and
H. Rzehak and
M. Spira and
J. Streicher and
K. Walz NMSSMCALC: a program package for the
calculation of loop-corrected Higgs
boson masses and decay widths in the
(complex) NMSSM . . . . . . . . . . . . 3372--3391
Yanbiao Chu and
Pierre Gautreau and
Tarek Ragab and
Cemal Basaran An accelerated algorithm for full band
electron-phonon scattering rate
computation . . . . . . . . . . . . . . 3392--3397
Yukinobu Koyama and
Atsuki Shinbori and
Yoshimasa Tanaka and
Tomoaki Hori and
Masahito Nosé and
Satoshi Oimatsu An Interactive Data Language software
package to calculate ionospheric
conductivity by using numerical models 3398--3405
G. F. Bertsch and
L. M. Robledo Combinatorial level densities by the
real-time method . . . . . . . . . . . . 3406--3411
Roberto Contino and
Margherita Ghezzi and
Christophe Grojean and
Margarete Mühlleitner and
Michael Spira eHDECAY: an implementation of the Higgs
effective Lagrangian into HDECAY . . . . 3412--3423
Chao Li and
Hailing Xiong $3$D simulation of the Cluster--Cluster
Aggregation model . . . . . . . . . . . 3424--3429
Michele Dolfi and
Bela Bauer and
Sebastian Keller and
Alexandr Kosenkov and
Timothée Ewart and
Adrian Kantian and
Thierry Giamarchi and
Matthias Troyer Matrix product state applications for
the ALPS project . . . . . . . . . . . . 3430--3440
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Anonymous \booktitleComputer Physics
Communications --- List of Editors . . . iv--v
Kevin Kröninger and
Steffen Schumann and
Benjamin Willenberg $ (M C)^3 $ --- A Multi-Channel Markov
Chain Monte Carlo algorithm for
phase-space sampling . . . . . . . . . . 1--10
Gui-Fang Shao and
Ting-Na Wang and
Tun-Dong Liu and
Jun-Ren Chen and
Ji-Wen Zheng and
Yu-Hua Wen Structural optimization of Pt--Pd alloy
nanoparticles using an improved discrete
particle swarm optimization algorithm 11--18
Carlos A. Parra-Murillo and
Javier Madroñero and
Sandro Wimberger Exact numerical methods for a many-body
Wannier--Stark system . . . . . . . . . 19--30
YoungJin Kim and
Min-Gu Yoo and
S. H. Kim and
Yong-Su Na Development of vector following mesh
generator for analysis of
two-dimensional tokamak plasma transport 31--38
Way Lee Cheng and
Ali Sheharyar and
Reza Sadr and
Othmane Bouhali Application of GPU processing for
Brownian particle simulation . . . . . . 39--47
P. Gerald Tennyson and
G. M. Karthik and
G. Phanikumar MPI + OpenCL implementation of a
phase-field method incorporating CALPHAD
description of Gibbs energies on
heterogeneous computing platforms . . . 48--64
B. Werlich and
T. Shakirov and
M. P. Taylor and
W. Paul Stochastic approximation Monte Carlo and
Wang--Landau Monte Carlo applied to a
continuum polymer model . . . . . . . . 65--70
I. M. Kulikov and
I. G. Chernykh and
A. V. Snytnikov and
B. M. Glinskiy and
A. V. Tutukov AstroPhi: a code for complex simulation
of the dynamics of astrophysical objects
using hybrid supercomputers . . . . . . 71--80
Josh A. Izaac and
Jingbo B. Wang pyCTQW: a continuous-time quantum walk
simulator on distributed memory
computers . . . . . . . . . . . . . . . 81--92
G. Tiana and
F. Villa and
Y. Zhan and
R. Capelli and
C. Paissoni and
P. Sormanni and
E. Heard and
L. Giorgetti and
R. Meloni MonteGrappa: an iterative Monte Carlo
program to optimize biomolecular
potentials in simplified models . . . . 93--104
C. Paissoni and
D. Spiliotopoulos and
G. Musco and
A. Spitaleri GMXPBSA 2.1: a GROMACS tool to perform
MM/PBSA and computational alanine
scanning . . . . . . . . . . . . . . . . 105--107
Bo Xiao and
Hao Wang An extended version of the simple and
fast Feynman diagram generator
EasyFeynDiag . . . . . . . . . . . . . . 108--109
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Banaras Khan and
H. A. Rahnamaye Aliabad and
N. Razghandi and
M. Maqbool and
S. Jalali Asadabadi and
Iftikhar Ahmad Structural and thermoelectric properties
of pure and La, Y doped HoMnO$_3$ for
their use as alternative energy
materials . . . . . . . . . . . . . . . 1--7
Francis P. Russell and
Karl A. Wilkinson and
Paul H. J. Kelly and
Chris-Kriton Skylaris Optimised three-dimensional Fourier
interpolation: an analysis of techniques
and application to a linear-scaling
density functional theory code . . . . . 8--19
Cyprien Soulaine and
Michel Quintard and
Hervé Allain and
Bertrand Baudouy and
Rob Van Weelderen A PISO-like algorithm to simulate
superfluid helium flow with the
two-fluid model . . . . . . . . . . . . 20--28
Bartlomiej Dybiec and
Igor M. Sokolov Estimation of the smallest eigenvalue in
fractional escape problems:
Semi-analytics and fits . . . . . . . . 29--37
Leonard Z. Li and
Hai-Wei Sun and
Sik-Chung Tam A spatial sixth-order alternating
direction implicit method for
two-dimensional cubic nonlinear
Schrödinger equations . . . . . . . . . . 38--48
Lech Wiktor Piotrowski and
Marco Casolino and
Toshikazu Ebisuzaki and
Kazuhiro Higashide The simulation of the LANFOS-H food
radiation contamination detector using
Geant4 package . . . . . . . . . . . . . 49--54
Cristobal A. Navarro and
Fabrizio Canfora and
Nancy Hitschfeld and
Gonzalo Navarro Parallel family trees for transfer
matrices in the Potts model . . . . . . 55--71
M. P. Laburta and
J. I. Montijano and
L. Rández and
M. Calvo Numerical methods for non conservative
perturbations of conservative problems 72--82
Sapna Pandit and
Manoj Kumar and
Surabhi Tiwari Numerical simulation of second-order
hyperbolic telegraph type equations with
variable coefficients . . . . . . . . . 83--90
Dmitry Shcherbakov and
Matthias Ehrhardt and
Michael Günther and
Michael Peardon Force-gradient nested multirate methods
for Hamiltonian systems . . . . . . . . 91--97
Antoine Levitt and
Marc Torrent Parallel eigensolvers in plane-wave
Density Functional Theory . . . . . . . 98--105
Xiao-mei Zhao and
Dong-fan Xie and
Qi Li Approaching system equilibrium with
accurate or not accurate feedback
information in a two-route system . . . 106--114
R. J. Hudspith and
On behalf of the RBC and
UKQCD Collaborations Fourier accelerated conjugate gradient
lattice gauge fixing . . . . . . . . . . 115--119
Mauro Del Ben and
Ole Schütt and
Tim Wentz and
Peter Messmer and
Jürg Hutter and
Joost VandeVondele Enabling simulation at the fifth rung of
DFT: Large scale RPA calculations with
excellent time to solution . . . . . . . 120--129
Andreas Alpers and
Peter Gritzmann and
Dmitry Moseev and
Mirko Salewski $3$D particle tracking velocimetry using
dynamic discrete tomography . . . . . . 130--136
Takashi Minoshima and
Yosuke Matsumoto and
Takanobu Amano A finite volume formulation of the
multi-moment advection scheme for Vlasov
simulations of magnetized plasma . . . . 137--151
Paul K. Romano An algorithm for generating random
variates from the Madland--Nix fission
energy spectrum . . . . . . . . . . . . 152--155
Yuto Miyatake A derivation of energy-preserving
exponentially-fitted integrators for
Poisson systems . . . . . . . . . . . . 156--161
Y. Lutsyshyn Fast quantum Monte Carlo on a GPU . . . 162--174
W. Ryssens and
V. Hellemans and
M. Bender and
P.-H. Heenen Solution of the Skyrme-HF+BCS equation
on a $3$D mesh, II: a new version of the
Ev8 code . . . . . . . . . . . . . . . . 175--194
V. Eremenko and
N. J. Upadhyay and
I. J. Thompson and
Ch. Elster and
F. M. Nunes and
G. Arbanas and
J. E. Escher and
L. Hlophe and
on behalf of the TORUS Collaboration Coulomb wave functions in momentum space 195--203
A. J. C. Crespo and
J. M. Domínguez and
B. D. Rogers and
M. Gómez-Gesteira and
S. Longshaw and
R. Canelas and
R. Vacondio and
A. Barreiro and
O. García-Feal DualSPHysics: Open-source parallel CFD
solver based on Smoothed Particle
Hydrodynamics (SPH) . . . . . . . . . . 204--216
P. Horgue and
C. Soulaine and
J. Franc and
R. Guibert and
G. Debenest An open-source toolbox for multiphase
flow in porous media . . . . . . . . . . 217--226
Manuel Drees and
Herbert K. Dreiner and
Jong Soo Kim and
Daniel Schmeier and
Jamie Tattersall CheckMATE: Confronting your favourite
new physics model with LHC data . . . . 227--265
Erhan Okuyan and
Erkan Okuyan A tool for pattern information
extraction and defect quantification
from crystal structures . . . . . . . . 266--267
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
C. N. Gilbreth and
Y. Alhassid Stabilizing canonical-ensemble
calculations in the auxiliary-field
Monte Carlo method . . . . . . . . . . . 1--6
H. Grimm-Strele and
F. Kupka and
H. J. Muthsam Achievable efficiency of numerical
methods for simulations of solar surface
convection . . . . . . . . . . . . . . . 7--20
S. Jolliet and
F. D. Halpern and
J. Loizu and
A. Mosetto and
F. Riva and
P. Ricci Numerical approach to the parallel
gradient operator in tokamak scrape-off
layer turbulence simulations and
application to the GBS code . . . . . . 21--32
O. Asunta and
J. Govenius and
R. Budny and
M. Gorelenkova and
G. Tardini and
T. Kurki-Suonio and
A. Salmi and
S. Sipilä and
the ASDEX Upgrade Team and
the JET EFDA Contributors Modelling neutral beams in fusion
devices: Beamlet-based model for fast
particle simulations . . . . . . . . . . 33--46
Danping Cao and
Wenyuan Liao A computational method for full waveform
inversion of crosswell seismic data
using automatic differentiation . . . . 47--58
Ram Jiwari A hybrid numerical scheme for the
numerical solution of the Burgers'
equation . . . . . . . . . . . . . . . . 59--67
I. K. Gainullin and
M. A. Sonkin High-performance parallel solver for
$3$D time-dependent Schrödinger equation
for large-scale nanosystems . . . . . . 68--75
A. Gama Goicochea and
M. A. Balderas Altamirano and
J. D. Hernández and
E. Pérez The role of the dissipative and random
forces in the calculation of the
pressure of simple fluids with
dissipative particle dynamics . . . . . 76--81
H. Frerichs and
D. Reiter Stability and control of iterated
non-linear transport solvers for fusion
edge plasmas . . . . . . . . . . . . . . 82--87
Yusuf Yakar and
Bekir Çakir and
Ayhan Özmen Linear and nonlinear absorption
coefficients of spherical two-electron
quantum dot . . . . . . . . . . . . . . 88--93
Chung-Yuan Ren and
Chen-Shiung Hsue and
Yia-Chung Chang A mixed basis density functional
approach for low dimensional systems
with B-splines . . . . . . . . . . . . . 94--102
Fu-Zhi Dai and
Wen-Zheng Zhang An automatic and simple method for
specifying dislocation features in
atomistic simulations . . . . . . . . . 103--109
Olindo Zanotti and
Michael Dumbser A high order special relativistic
hydrodynamic and magnetohydrodynamic
code with space--time adaptive mesh
refinement . . . . . . . . . . . . . . . 110--127
Stephen J. Sangwine Comments on `A structure-preserving
method for the quaternion LU
decomposition in quaternionic quantum
theory' by Minghui Wang and Wenhao Ma 128--130
Bin Tu and
Yan Xie and
Linbo Zhang and
Benzhuo Lu Stabilized finite element methods to
simulate the conductances of ion
channels . . . . . . . . . . . . . . . . 131--139
Li Guang Jiao and
Yew Kam Ho Computation of two-electron screened
Coulomb potential integrals in Hylleraas
basis sets . . . . . . . . . . . . . . . 140--147
Erik Panzer Algorithms for the symbolic integration
of hyperlogarithms with applications to
Feynman integrals . . . . . . . . . . . 148--166
G. Poghosyan and
S. Matta and
A. Streit and
M. Bejger and
A. Królak Architecture, implementation and
parallelization of the software to
search for periodic gravitational wave
signals . . . . . . . . . . . . . . . . 167--176
Mikael Mortensen and
Kristian Valen-Sendstad Oasis: a high-level/high-performance
open source Navier--Stokes solver . . . 177--188
Randolf Beerwerth and
Heiko Bauke Krylov subspace methods for the Dirac
equation . . . . . . . . . . . . . . . . 189--197
Andreas Kempf and
Patrick Kilian and
Urs Ganse and
Cedric Schreiner and
Felix Spanier PICPANTHER: a simple, concise
implementation of the relativistic
moment implicit particle-in-cell method 198--207
J. Rosiek SUSY FLAVOR v2.5: a computational tool
for FCNC and CP-violating processes in
the MSSM . . . . . . . . . . . . . . . . 208--210
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
J. Kuipers and
T. Ueda and
J. A. M. Vermaseren Code optimization in FORM . . . . . . . 1--19
Shota Ono and
Yoshifumi Noguchi and
Ryoji Sahara and
Yoshiyuki Kawazoe and
Kaoru Ohno TOMBO: All-electron mixed-basis approach
to condensed matter physics . . . . . . 20--30
M. Aldegunde and
K. Kalna Energy conserving, self-force free Monte
Carlo simulations of semiconductor
devices on unstructured meshes . . . . . 31--36
N. Mai-Duy and
N. Phan-Thien and
B. C. Khoo Investigation of particles size effects
in Dissipative Particle Dynamics (DPD)
modelling of colloidal suspensions . . . 37--46
M. E. Innocenti and
A. Beck and
T. Ponweiser and
S. Markidis and
G. Lapenta Introduction of temporal sub-stepping in
the Multi-Level Multi-Domain
semi-implicit Particle-In-Cell code
Parsek2D-MLMD . . . . . . . . . . . . . 47--59
Rong-Bin Chen and
Yu-Huang Chiu and
Ming-Fa Lin Beating oscillations of magneto-optical
spectra in simple hexagonal graphite . . 60--65
Isabelle Charpentier and
Claude Dal Cappello Higher-order automatic differentiation
of mathematical functions . . . . . . . 66--71
Ding-wei Huang Modeling gridlock at roundabout . . . . 72--76
Konstantin V. Tretiakov and
Krzysztof W. Wojciechowski Quick and accurate estimation of the
elastic constants using the minimum
image method . . . . . . . . . . . . . . 77--83
Dmitry I. Lyakh An efficient tensor transpose algorithm
for multicore CPU, Intel Xeon Phi, and
NVidia Tesla GPU . . . . . . . . . . . . 84--91
S. Frijters and
T. Krüger and
J. Harting Parallelised Hoshen--Kopelman algorithm
for lattice-Boltzmann simulations . . . 92--98
Zu-Hui Ma and
Weng Cho Chew and
Yu Mao Wu and
Li Jun Jiang A new multilevel method for
electrostatic problems through
hierarchical loop basis . . . . . . . . 99--105
Zhijie Xu and
Dongsheng Li and
Wei Xu and
Arun Devaraj and
Robert Colby and
Suntharampillai Thevuthasan and
B. P. Geiser and
D. J. Larson Simulation of heterogeneous atom probe
tip shapes evolution during field
evaporation using a level set method and
different evaporation models . . . . . . 106--113
T. Kittelmann and
M. Boin Polycrystalline neutron scattering for
Geant4: NXSG4 . . . . . . . . . . . . . 114--118
Liang-Chun Liu and
Jer-Lai Kuo A LAMMPS implementation of
volume-temperature replica exchange
molecular dynamics . . . . . . . . . . . 119--127
Vladimir V. Bytev and
Bernd A. Kniehl HYPERDIRE HYPERgeometric functions
DIfferential REduction:
Mathematica-based packages for the
differential reduction of generalized
hypergeometric functions: Horn-type
hypergeometric functions of two
variables . . . . . . . . . . . . . . . 128--154
K. Kabin and
G. Bonner Motion of a charged particle in an
axisymmetric longitudinal magnetic field
that is inversely proportional to the
radius . . . . . . . . . . . . . . . . . 155--161
Mark A. Zentile and
James Keaveney and
Lee Weller and
Daniel J. Whiting and
Charles S. Adams and
Ifan G. Hughes ElecSus: a program to calculate the
electric susceptibility of an atomic
ensemble . . . . . . . . . . . . . . . . 162--174
V. M. Shabaev and
I. I. Tupitsyn and
V. A. Yerokhin QEDMOD: Fortran program for calculating
the model Lamb-shift operator . . . . . 175--181
A. V. Smirnov FIRE5: a C++ implementation of Feynman
Integral REduction . . . . . . . . . . . 182--191
B. C. Allanach and
A. Bednyakov and
R. Ruiz de Austri Higher order corrections and unification
in the minimal supersymmetric standard
model: SOFTSUSY3.5 . . . . . . . . . . . 192--206
Marek Frankowski and
Jakub Checi\'nski and
Maciej Czapkiewicz Spatial Spectrum Analyzer (SSA): a tool
for calculations of spatial distribution
of Fast Fourier Transform spectrum from
Object Oriented Micromagnetic Framework
output data . . . . . . . . . . . . . . 207--212
Fawei Zheng and
Ping Zhang and
Wenhui Duan Quantum Unfolding: a program for
unfolding electronic energy bands of
materials . . . . . . . . . . . . . . . 213--219
YoungJin Kim and
Min-Gu Yoo and
S. H. Kim and
Yong-Su Na Corrigendum to ``Development of vector
following mesh generator for analysis of
two dimensional tokamak plasma
transport'' [Comput. Phys. Comm. \bf 186
(2015) 31--38] . . . . . . . . . . . . . 220
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
A. L. Zheleznyakova Molecular dynamics-based triangulation
algorithm of free-form parametric
surfaces for computer-aided engineering 1--14
Sebastian C. Binder and
Esteban A. Hernandez-Vargas and
Michael Meyer-Hermann Reducing complexity: an iterative
strategy for parameter determination in
biological networks . . . . . . . . . . 15--22
Olle Penttinen and
Håkan Nilsson A fully synthetic turbulent boundary
condition with a homogeneous vortex
distribution . . . . . . . . . . . . . . 23--32
Franz Knuth and
Christian Carbogno and
Viktor Atalla and
Volker Blum and
Matthias Scheffler All-electron formalism for total energy
strain derivatives and stress tensor
components for numeric atom-centered
orbitals . . . . . . . . . . . . . . . . 33--50
Christoph Begau and
Godehard Sutmann Adaptive dynamic load-balancing with
irregular domain decomposition for
particle simulations . . . . . . . . . . 51--61
M. Motta and
G. Bertaina and
D. E. Galli and
E. Vitali Implementation of the linear method for
the optimization of Jastrow--Feenberg
and backflow correlations . . . . . . . 62--71
Jungpyo Lee and
Antoine Cerfon ECOM: a fast and accurate solver for
toroidal axisymmetric MHD equilibria . . 72--88
Z. Guo and
S. M. Xiong On solving the $3$-D phase field
equations by employing a
parallel-adaptive mesh refinement
(Para-AMR) algorithm . . . . . . . . . . 89--97
C. D. Sijoy and
S. Chaturvedi TRHD: Three-temperature
radiation-hydrodynamics code with an
implicit non-equilibrium radiation
transport using a cell-centered
monotonic finite volume scheme on
unstructured-grids . . . . . . . . . . . 98--119
Takenobu Nakamura and
Shuhei Kawamoto and
Wataru Shinoda Precise calculation of the local
pressure tensor in Cartesian and
spherical coordinates in LAMMPS . . . . 120--128
Arturs Scukins and
Vitaliy Bardik and
Evgen Pavlov and
Dmitry Nerukh Molecular Dynamics implementation of
BN2D or `Mercedes Benz' water model . . 129--138
Peter Athron and
Jae-hyeon Park and
Dominik Stöckinger and
Alexander Voigt FlexibleSUSY --- a spectrum generator
generator for supersymmetric models . . 139--172
Bo Zhang and
Bo Peng and
Jingfang Huang and
Nikos P. Pitsianis and
Xiaobai Sun and
Benzhuo Lu Parallel AFMPB solver with automatic
surface meshing for calculation of
molecular solvation free energy . . . . 173--181
César Ayala and
Gorazd Cvetic anQCD: a Mathematica package for
calculations in general analytic QCD
models . . . . . . . . . . . . . . . . . 182--199
David Schaich and
Thomas DeGrand Parallel software for lattice $ {\cal N}
= 4 $ supersymmetric Yang--Mills theory 200--212
G. Ciaramella and
A. Borz\`\i SKRYN: a fast semismooth-Krylov--Newton
method for controlling Ising spin
systems . . . . . . . . . . . . . . . . 213--223
Ján Busa, Jr. and
Ján Busa and
Shura Hayryan and
Chin-Kun Hu and
Ming-Chya Wu CAVE-CL: an OpenCL version of the
package for detection and quantitative
analysis of internal cavities in a
system of overlapping balls: Application
to proteins . . . . . . . . . . . . . . 224--227
Mohan Chen and
Junchao Xia and
Chen Huang and
Johannes M. Dieterich and
Linda Hung and
Ilgyou Shin and
Emily A. Carter Introducing PROFESS 3.0: an advanced
program for orbital-free density
functional theory molecular dynamics
simulations . . . . . . . . . . . . . . 228--230
W. Ryssens and
V. Hellemans and
M. Bender and
P.-H. Heenen Corrigendum to ``Solution of the
Skyrme-HF+BCS equation on a $3$D mesh
II. A new version of the Ev8 code''
[Comput. Phys. Comm. 187 (2) (2015)
175--194] . . . . . . . . . . . . . . . 231
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Amanda Streib and
Noah Streib and
Isabel Beichl and
Francis Sullivan Stratified sampling for the Ising model:
a graph-theoretic approach . . . . . . . 1--8
M. Pfeiffer and
A. Mirza and
C.-D. Munz and
S. Fasoulas Two statistical particle split and merge
methods for Particle-in-Cell codes . . . 9--24
Katja Biswas An iterative aggregation and
disaggregation method for the steady
state solution of large scale continuous
systems . . . . . . . . . . . . . . . . 25--32
George Rawitscher A spectral Phase-Amplitude method for
propagating a wave function to large
distances . . . . . . . . . . . . . . . 33--42
J. Francés and
B. Otero and
S. Bleda and
S. Gallego and
C. Neipp and
A. Márquez and
A. Beléndez Multi-GPU and multi-CPU accelerated FDTD
scheme for vibroacoustic applications 43--51
Xian-Ming Gu and
Markus Clemens and
Ting-Zhu Huang and
Liang Li The SCBiCG class of algorithms for
complex symmetric linear systems with
applications in several electromagnetic
model problems . . . . . . . . . . . . . 52--64
M. Vranic and
T. Grismayer and
J. L. Martins and
R. A. Fonseca and
L. O. Silva Particle merging algorithm for PIC codes 65--73
P. Kant and
O. M. Kind and
T. Kintscher and
T. Lohse and
T. Martini and
S. Mölbitz and
P. Rieck and
P. Uwer HatHor for single top-quark production:
Updated predictions and uncertainty
estimates for single top-quark
production in hadronic collisions . . . 74--89
Ya-Min Quan and
Qing-wei Wang and
Da-Yong Liu and
Xiang-Long Yu and
Liang-Jian Zou Numerical optimization algorithm for
rotationally invariant multi-orbital
slave-boson method . . . . . . . . . . . 90--99
José-María Martí On the correction of conserved variables
for numerical RMHD with staggered
constrained transport . . . . . . . . . 100--105
Ruhan Thirayatorn and
Pairot Moontragoon and
Vittaya Amornkitbamrung and
Santi Meansiri and
Zoran Ikonic Finite-difference calculation of the
electronic structure of artificial
graphene, the $2$D hexagonal
Al$_w$Ga$_{1 - w}$As/GaAs structure with
tunable interactions . . . . . . . . . . 106--118
Mikael Leetmaa and
Natalia V. Skorodumova Mean square displacements with error
estimates from non-equidistant time-step
kinetic Monte Carlo simulations . . . . 119--124
Nelson A. Alves and
Lucas D. Morero and
Leandro G. Rizzi Microcanonical thermostatistics analysis
without histograms: Cumulative
distribution and Bayesian approaches . . 125--131
Amparo Gil and
Javier Segura and
Nico M. Temme GammaCHI: a package for the inversion
and computation of the gamma and
chi-square cumulative distribution
functions (central and noncentral) . . . 132--139
J. Spiechowicz and
M. Kostur and
L. Machura GPU accelerated Monte Carlo simulation
of Brownian motors dynamics with CUDA 140--149
Zhong-Li Liu Phasego: a toolkit for automatic
calculation and plot of phase diagram 150--158
Torbjörn Sjöstrand and
Stefan Ask and
Jesper R. Christiansen and
Richard Corke and
Nishita Desai and
Philip Ilten and
Stephen Mrenna and
Stefan Prestel and
Christine O. Rasmussen and
Peter Z. Skands An introduction to PYTHIA 8.2 . . . . . 159--177
J. M. Verbeke and
J. Randrup and
R. Vogt Fission Reaction Event Yield Algorithm,
FREYA --- For event-by-event simulation
of fission . . . . . . . . . . . . . . . 178--202
Kevin P. Bishop and
Steve Constable and
Nabil F. Faruk and
Pierre-Nicholas Roy OpenMM accelerated MMTK . . . . . . . . 203--208
Ruben Otin and
Jaco Verpoorte and
Harmen Schippers and
Roger Isanta A finite element tool for the
electromagnetic analysis of braided
cable shields . . . . . . . . . . . . . 209--220
T. C. Scott and
Wenxing Zhang Efficient hybrid-symbolic methods for
quantum mechanical calculations . . . . 221--234
Sebastian Wouters and
Ward Poelmans and
Stijn De Baerdemacker and
Paul W. Ayers and
Dimitri Van Neck CheMPS2: Improved DMRG--SCF routine and
correlation functions . . . . . . . . . 235--237
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Mikito Furuichi and
Dave A. May Implicit solution of the material
transport in Stokes flow simulation:
Toward thermal convection simulation
surrounded by free surface . . . . . . . 1--11
Xin Xu and
Zhenzhou Lu and
Xiaopeng Luo A numerical meshless method of
soliton-like structures model via an
optimal sampling density based kernel
interpolation . . . . . . . . . . . . . 12--22
Liang Li and
Stéphane Lanteri and
Ronan Perrussel A class of locally well-posed
hybridizable discontinuous Galerkin
methods for the solution of
time-harmonic Maxwell's equations . . . 23--31
Peicheng Yu and
Xinlu Xu and
Viktor K. Decyk and
Frederico Fiuza and
Jorge Vieira and
Frank S. Tsung and
Ricardo A. Fonseca and
Wei Lu and
Luis O. Silva and
Warren B. Mori Elimination of the numerical Cerenkov
instability for spectral EM--PIC codes 32--47
R. P. Dhote and
H. Gomez and
R. N. V. Melnik and
J. Zu Shape memory alloy nanostructures with
coupled dynamic thermo-mechanical
effects . . . . . . . . . . . . . . . . 48--53
D. Schouten and
A. DeAbreu and
B. Stelzer Accelerated matrix element method with
parallel computing . . . . . . . . . . . 54--59
Sergey V. Levchenko and
Xinguo Ren and
Jürgen Wieferink and
Rainer Johanni and
Patrick Rinke and
Volker Blum and
Matthias Scheffler Hybrid functionals for large periodic
systems in an all-electron, numeric
atom-centered basis framework . . . . . 60--69
Marco Vanni Accurate modelling of flow induced
stresses in rigid colloidal aggregates 70--90
Ken-ichi Nomura and
Patrick E. Small and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta An extended-Lagrangian scheme for charge
equilibration in reactive molecular
dynamics simulations . . . . . . . . . . 91--96
Jens Glaser and
Trung Dac Nguyen and
Joshua A. Anderson and
Pak Lui and
Filippo Spiga and
Jaime A. Millan and
David C. Morse and
Sharon C. Glotzer Strong scaling of general-purpose
molecular dynamics simulations on GPUs 97--107
G. Turemen and
G. Unel and
B. Yasatekin A graphical approach to radio frequency
quadrupole design . . . . . . . . . . . 108--113
Valentin V. Karasiev and
Debajit Chakraborty and
S. B. Trickey Improved analytical representation of
combinations of Fermi--Dirac integrals
for finite-temperature density
functional calculations . . . . . . . . 114--123
Han-Xin Yang and
Liang Huang Opinion percolation in structured
population . . . . . . . . . . . . . . . 124--129
Daniel G. Harvey and
Alexander G. Fletcher and
James M. Osborne and
Joe Pitt-Francis A parallel implementation of an
off-lattice individual-based model of
multicellular populations . . . . . . . 130--137
Dominic Roehm and
Robert S. Pavel and
Kipton Barros and
Bertrand Rouet-Leduc and
Allen L. McPherson and
Timothy C. Germann and
Christoph Junghans Distributed Database Kriging for
Adaptive Sampling (D$^2$KAS) . . . . . . 138--147
Dan Cai and
Lijun Zhang and
Yong Du Application of locally one-dimensional
semi-implicit scheme in phase-field
equations . . . . . . . . . . . . . . . 148--155
P. Dunzlaff and
R. D. Strauss and
M. S. Potgieter Solving Parker's transport equation with
stochastic differential equations on
GPUs . . . . . . . . . . . . . . . . . . 156--165
Robert Feger and
Thomas W. Kephart LieART --- a Mathematica application for
Lie algebras and representation theory 166--195
Aleksandr Chernatynskiy and
Simon R. Phillpot Phonon Transport Simulator (PhonTS) . . 196--204
C. D. Cantwell and
D. Moxey and
A. Comerford and
A. Bolis and
G. Rocco and
G. Mengaldo and
D. De Grazia and
S. Yakovlev and
J.-E. Lombard and
D. Ekelschot and
B. Jordi and
H. Xu and
Y. Mohamied and
C. Eskilsson and
B. Nelson and
P. Vos and
C. Biotto and
R. M. Kirby and
S. J. Sherwin Nektar++: an open-source spectral/$ h p
$ element framework . . . . . . . . . . 205--219
Michal Januszewski and
Andrzej Ptok and
Dawid Crivelli and
Bartlomiej Gardas GPU-based acceleration of free energy
calculations in solid state physics . . 220--227
Marcos Rodríguez and
Fernando Blesa and
Roberto Barrio OpenCL parallel integration of ordinary
differential equations: Applications in
computational dynamics . . . . . . . . . 228--236
A. Cuoci and
A. Frassoldati and
T. Faravelli and
E. Ranzi OpenSMOKE++: an object-oriented
framework for the numerical modeling of
reactive systems with detailed kinetic
mechanisms . . . . . . . . . . . . . . . 237--264
S. V. Isakov and
I. N. Zintchenko and
T. F. Rònnow and
M. Troyer Optimised simulated annealing for Ising
spin glasses . . . . . . . . . . . . . . 265--271
Daniel Muñoz-Santiburcio and
Alfonso Hernández-Laguna and
Juan I. Soto AWESoMe: a code for the calculation of
phase and group velocities of acoustic
waves in homogeneous solids . . . . . . 272--277
Aaron H. Brown and
Tiffany R. Walsh An improved TIGER2 implementation for
NAMD suitable for the Blue Gene
architecture . . . . . . . . . . . . . . 278--281
E. Delage and
Q. T. Pham and
M. Karamitros and
H. Payno and
V. Stepan and
S. Incerti and
L. Maigne and
Y. Perrot PDB4DNA: Implementation of DNA geometry
from the Protein Data Bank (PDB)
description for Geant4-DNA Monte-Carlo
simulations . . . . . . . . . . . . . . 282--288
Rafael López and
Jaime Fernández Rico and
Guillermo Ramírez and
Ignacio Ema and
David Zorrilla DAMQT 2.0: a new version of the DAMQT
package for the analysis of electron
density in molecules . . . . . . . . . . 289--294
J. L. Cercos-Pita AQUAgpusph, a new free $3$D SPH solver
accelerated with OpenCL . . . . . . . . 295--312
D. G. Green and
C. N. Harvey SIMLA: Simulating particle dynamics in
intense laser and other electromagnetic
fields via classical and quantum
electrodynamics . . . . . . . . . . . . 313--321
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs4.1: Two dark matter
candidates . . . . . . . . . . . . . . . 322--329
Bin Zhang and
Zengxiu Zhao SLIMP: Strong laser interaction model
package for atoms and molecules . . . . 330--341
Patrick Ferrand GPScan.VI: a general-purpose LabVIEW
program for scanning imaging or any
application requiring synchronous analog
voltage generation and data acquisition 342--347
Bertrand Thierry and
Xavier Antoine and
Chokri Chniti and
Hasan Alzubaidi $ \mu $-diff: an open-source Matlab
toolbox for computing multiple
scattering problems by disks . . . . . . 348--362
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
C. Masato Nakano and
Hye Suk Byun and
Heng Ma and
Tao Wei and
Mohamed Y. El-Naggar A framework for stochastic simulations
and visualization of biological
electron-transfer dynamics . . . . . . . 1--9
S. Blanes Explicit symplectic RKN methods for
perturbed non-autonomous oscillators:
Splitting, extended and exponentially
fitting methods . . . . . . . . . . . . 10--18
Medha Sharma and
M. A. H. Ahsan Organization of the Hilbert space for
exact diagonalization of Hubbard model 19--29
A. S. M. Jiao and
P. W. M. Tsang and
T.-C. Poon Restoration of digital off-axis Fresnel
hologram by exemplar and search based
image inpainting with enhanced computing
speed . . . . . . . . . . . . . . . . . 30--37
Yousef El-Kurdi and
Maryam Mehri Dehnavi and
Warren J. Gross and
Dennis Giannacopoulos Parallel finite element technique using
Gaussian belief propagation . . . . . . 38--48
Haiyan Li and
Yunbao Huang and
Shaoen Jiang and
Longfei Jing and
Yongkun Ding An efficient computational approach for
evaluating radiation flux for laser
driven inertial confinement fusion
targets . . . . . . . . . . . . . . . . 49--54
Ram Jiwari Lagrange interpolation and modified
cubic B-spline differential quadrature
methods for solving hyperbolic partial
differential equations with Dirichlet
and Neumann boundary conditions . . . . 55--65
Joaquín Peralta and
Claudia Loyola and
Sergio Davis A GPU enhanced approach to identify
atomic vacancies in solid materials . . 66--71
Hai-Xia Cheng and
Yao-Wen Hu and
Xiao-Xu Wang and
Guo-Hua Zhang and
Zhi-Wei An and
Zhen-Feng Zhang and
Biao Zhang and
Tao Zhou and
Ping Qian and
Ying Liu and
Nan-Xian Chen The phase stability, magnetic and
vibrational properties of
A$_2$Ni$_{21}$B$_6$ ($ A = $ Th, U) and
Ce$_3$Pd$_{20}$Si$_6$ . . . . . . . . . 72--77
Robert A. Bell and
Simon M.-M. Dubois and
Michael C. Payne and
Arash A. Mostofi Electronic transport calculations in the
\sc onetep code: Implementation and
applications . . . . . . . . . . . . . . 78--88
Dai-Mei Zhou and
Yu-Liang Yan and
Xing-Long Li and
Xiao-Mei Li and
Bao-Guo Dong and
Xu Cai and
Ben-Hao Sa An upgraded issue of the parton and
hadron cascade model, PACIAE 2.2 . . . . 89--94
Xavier Antoine and
Romain Duboscq GPELab, a Matlab toolbox to solve
Gross--Pitaevskii equations II: Dynamics
and stochastic simulations . . . . . . . 95--117
Hong Ding and
Bharat Medasani and
Wei Chen and
Kristin A. Persson and
Maciej Haranczyk and
Mark Asta PyDII: a Python framework for computing
equilibrium intrinsic point defect
concentrations and extrinsic solute site
preferences in intermetallic compounds 118--123
Tasmiat Rahman and
Kristel Fobelets Efficient tool flow for $3$D
photovoltaic modelling . . . . . . . . . 124--130
Hendrik Sträter PARPLE: Detailed automatized and
parallel evaluation of luminescence
mappings . . . . . . . . . . . . . . . . 131--137
Jürgen Waxenegger and
Andreas Trügler and
Ulrich Hohenester Plasmonics simulations with the MNPBEM
toolbox: Consideration of substrates and
layer structures . . . . . . . . . . . . 138--150
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
P. Lee and
J.-L. Vay Efficiency of the Perfectly Matched
Layer with high-order finite difference
and pseudo-spectral Maxwell solvers . . 1--9
Tak Pui Lou and
Bernhard Ludewigt MMAPDNG: a new, fast code backed by a
memory-mapped database for simulating
delayed $ \gamma $-ray emission with
MCNPX package . . . . . . . . . . . . . 10--17
Daisuke Nishiura and
Mikito Furuichi and
Hide Sakaguchi Computational performance of a smoothed
particle hydrodynamics simulation for
shared-memory parallel computing . . . . 18--32
Eduardo X. Miqueles and
Carlos A. Pérez and
Vanessa I. Suárez and
Rafael F. C. Vescovi Grazing-incidence XRF analysis of
layered samples: Detailed study of
amplitude calculation . . . . . . . . . 33--42
Haksu Moon and
Fernando L. Teixeira and
Yuri A. Omelchenko Exact charge-conserving scatter-gather
algorithm for particle-in-cell
simulations on unstructured grids: a
geometric perspective . . . . . . . . . 43--53
Yukihiro Komura GPU-based cluster-labeling algorithm
without the use of conventional
iteration: Application to the
Swendsen--Wang multi-cluster spin flip
algorithm . . . . . . . . . . . . . . . 54--58
M. Erturk Exponential type orbitals with
generalized hyperbolic cosine functions
for atomic systems . . . . . . . . . . . 59--63
Svyatoslav Chugunov and
Changying Li Parallel implementation of inverse
adding-doubling and Monte Carlo
multi-layered programs for high
performance computing systems with
shared and distributed memory . . . . . 64--75
Roberto Barrio and
Angeles Dena and
Warwick Tucker A database of rigorous and
high-precision periodic orbits of the
Lorenz model . . . . . . . . . . . . . . 76--83
Bin Zhang and
Jianmin Yuan and
Zengxiu Zhao DMTDHF: a full dimensional
time-dependent Hartree--Fock program for
diatomic molecules in strong laser
fields . . . . . . . . . . . . . . . . . 84--96
Martin Hunt and
Benjamin Haley and
Michael McLennan and
Marisol Koslowski and
Jayathi Murthy and
Alejandro Strachan PUQ: a code for non-intrusive
uncertainty propagation in computer
simulations . . . . . . . . . . . . . . 97--107
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Bastien Grosso and
Valentino R. Cooper and
Polina Pine and
Adham Hashibon and
Yuval Yaish and
Joan Adler Visualization of electronic density . . 1--13
T. I. Riikilä and
T. Tallinen and
J. Åström and
J. Timonen A discrete-element model for
viscoelastic deformation and fracture of
glacial ice . . . . . . . . . . . . . . 14--22
Deng Zhao and
R. E. Waltz Numerical methods for nonlinear
simulations of cyclokinetics
illustrating the breakdown of
gyrokinetics at high turbulence levels 23--34
E. Endress and
C. Pena and
K. Sivalingam Variance reduction with practical
all-to-all lattice propagators . . . . . 35--48
Konstantinos Kourtzanidis and
François Rogier and
Jean-Pierre Boeuf ADI--FDTD modeling of microwave plasma
discharges in air towards fully
three-dimensional simulations . . . . . 49--60
J. D. Ramshaw and
C. H. Chang Numerical stability in multifluid gas
dynamics with implicit drag forces . . . 61--67
Haruhiko Kohno An efficient, high-order finite element
method using the nodal averaging
technique for incompressible fluid flows 68--76
Jelena Stankovic and
Predrag Marinkovic and
Olivera Ciraj-Bjelac and
Jelica Kaljevic and
Danijela Arandjic and
Djordje Lazarevic Toward utilization of MCNP5 particle
track output file for simulation
problems in photon spectrometry . . . . 77--83
Yukihiro Komura Multi-GPU-based Swendsen--Wang
multi-cluster algorithm with reduced
data traffic . . . . . . . . . . . . . . 84--94
W. Michael Brown and
Jan-Michael Y. Carrillo and
Nitin Gavhane and
Foram M. Thakkar and
Steven J. Plimpton Optimizing legacy molecular dynamics
software with directive-based offload 95--101
Y. L. Chen and
C. Z. Tian and
L. X. Li A key-node finite element method and its
application to porous materials . . . . 102--111
Xiang Chen and
Aleksandr Chernatynskiy and
Liming Xiong and
Youping Chen A coherent phonon pulse model for
transient phonon thermal transport . . . 112--116
R. Kishor Kumar and
Luis E. Young-S. and
Dusan Vudragovi\'c and
Antun Balaz and
Paulsamy Muruganandam and
S. K. Adhikari Fortran and C programs for the
time-dependent dipolar Gross--Pitaevskii
equation in an anisotropic trap . . . . 117--128
Mirco Zerbetto and
Diego Frezzato Multidimensional integration through
Markovian sampling under steered
function morphing: a physical guise from
statistical mechanics . . . . . . . . . 129--139
Li Huang and
Yilin Wang and
Zi Yang Meng and
Liang Du and
Philipp Werner and
Xi Dai $i$QIST: an open source continuous-time
quantum Monte Carlo impurity solver
toolkit . . . . . . . . . . . . . . . . 140--160
Ansgar Denner and
Stefan Dittmaier and
Stefan Kallweit and
Alexander Mück HAWK 2.0: a Monte Carlo program for
Higgs production in vector-boson fusion
and Higgs strahlung at hadron colliders 161--171
Martin Wiebusch HEPMath 1.4: a Mathematica package for
semi-automatic computations in high
energy physics . . . . . . . . . . . . . 172--190
Changru Ma and
Layla Martin-Samos and
Stefano Fabris and
Alessandro Laio and
Simone Piccinin QMMMW: a wrapper for QM/MM simulations
with Quantum ESPRESSO and LAMMPS . . . . 191--198
M. G. Kozlov and
S. G. Porsev and
M. S. Safronova and
I. I. Tupitsyn CI--MBPT: a package of programs for
relativistic atomic calculations based
on a method combining configuration
interaction and many-body perturbation
theory . . . . . . . . . . . . . . . . . 199--213
Erkan Okuyan and
Ceyda Okuyan BilKristal 4.0: a tool for crystal
parameters extraction and defect
quantification . . . . . . . . . . . . . 214--215
J. Avellar and
A. L. G. C. Claudino and
L. G. S. Duarte and
L. A. C. P. da Mota Finding higher order Darboux polynomials
for a family of rational first order
ordinary differential equations . . . . 216--217
I. V. Grossu and
C. Besliu and
Al. Jipa and
D. Felea and
E. Stan and
T. Esanu Support for massless particles in Chaos
Many-Body Engine simulations of nuclear
collisions at relativistic energies . . 218--220
J. Avellar and
L. G. S. Duarte and
L. A. C. P. da Mota Improving a family of Darboux methods
for rational second order ordinary
differential equations . . . . . . . . . 221--223
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
T. C. Tsai and
H.-S. Yu and
M.-S. Hsieh and
S. H. Lai and
Y.-H. Yang Implicit predictor-corrector central
finite difference scheme for the
equations of magnetohydrodynamic
simulations . . . . . . . . . . . . . . 1--12
John P. Boyd Four ways to compute the inverse of the
complete elliptic integral of the first
kind . . . . . . . . . . . . . . . . . . 13--18
Xiang Cheng and
Stefan Boettcher Jamming in hierarchical networks . . . . 19--26
Xiaogang Yang and
J. Ruud van Ommen and
Jasper Schoormans and
Robert F. Mudde A hybrid tomographic reconstruction
algorithm for high speed X-ray
tomography . . . . . . . . . . . . . . . 27--35
Martin Schlipf and
François Gygi Optimization algorithm for the
generation of ONCV pseudopotentials . . 36--44
Denis F. Hinz and
Alexander Panchenko and
Tae-Yeon Kim and
Eliot Fried Particle-based simulations of
self-motile suspensions . . . . . . . . 45--57
Bijan Chokoufe Nejad and
Thorsten Ohl and
Jürgen Reuter Simple, parallel virtual machines for
extreme computations . . . . . . . . . . 58--69
R. Haelterman and
D. Van Eester Accelerating the convergence of a
tokamak modeling code with Aitken's
method . . . . . . . . . . . . . . . . . 70--79
Kamil Brádler Hiking a generalized Dyck path: a
tractable way of calculating multimode
boson evolution operators . . . . . . . 80--91
Y. C. Chang and
Waleed E. Mahmoud Simulation of optical excitation spectra
of semiconductor nanowires within
effective bond orbital model . . . . . . 92--112
Shuvam Sen and
Jiten C. Kalita A 4OEC scheme for the biharmonic steady
Navier--Stokes equations in
non-rectangular domains . . . . . . . . 113--133
Jonathan A. Walsh and
Paul K. Romano and
Benoit Forget and
Kord S. Smith Optimizations of the energy grid search
algorithm in continuous-energy Monte
Carlo particle transport codes . . . . . 134--142
Matthew P. Kroonblawd and
Thomas D. Sewell Strategies for non-uniform sampling of
molecular dynamics phase space
trajectories of relaxation phenomena . . 143--148
Arman Boromand and
Safa Jamali and
Joao M. Maia Viscosity measurement techniques in
Dissipative Particle Dynamics . . . . . 149--160
Konstantin G. Savvidy The MIXMAX random number generator . . . 161--165
Jürgen Fuhrmann Comparison and numerical treatment of
generalised Nernst--Planck models . . . 166--178
R. Pepe and
A. Bonfiglioli and
A. D'Angola and
G. Colonna and
R. Paciorri An unstructured shock-fitting solver for
hypersonic plasma flows in chemical
non-equilibrium . . . . . . . . . . . . 179--193
K. Zhou and
S. H. Ni and
Z. F. Tian Exponential high-order compact scheme on
nonuniform grids for the steady MHD duct
flow problems with high Hartmann numbers 194--211
A. Valentim and
Claudio J. DaSilva and
Carlos E. Fiore Efficient simulated tempering with
approximated weights: Applications to
first-order phase transitions . . . . . 212--220
Brendan B. Godfrey and
Jean-Luc Vay Improved numerical Cherenkov instability
suppression in the generalized PSTD PIC
algorithm . . . . . . . . . . . . . . . 221--225
Hang Ning and
T. E. Simos High algebraic order Runge--Kutta type
two-step method with vanished phase-lag
and its first, second, third, fourth,
fifth and sixth derivatives . . . . . . 226--235
Emilio Gallicchio and
Junchao Xia and
William F. Flynn and
Baofeng Zhang and
Sade Samlalsingh and
Ahmet Mentes and
Ronald M. Levy Asynchronous replica exchange software
for grid and heterogeneous computing . . 236--246
Evangelos Voyiatzis and
Michael C. Böhm and
Florian Müller-Plathe A geometric approach to identify
cavities in particle systems . . . . . . 247--254
Nicolas Moreno and
Suzana P. Nunes and
Victor M. Calo Consistent model reduction of polymer
chains in solution in dissipative
particle dynamics: Model description . . 255--266
R. A. Hansel and
C. N. Brock and
B. C. Paikoff and
A. R. Tackett and
D. G. Walker Automated generation of highly accurate,
efficient and transferable
pseudopotentials . . . . . . . . . . . . 267--275
A. W. Bray and
I. B. Abdurakhmanov and
A. S. Kadyrov and
D. V. Fursa and
I. Bray Solving close-coupling equations in
momentum space without singularities . . 276--279
Andres Mena and
Jose M. Ferrero and
Jose F. Rodriguez Matas GPU accelerated solver for nonlinear
reaction-diffusion systems. Application
to the electrophysiology problem . . . . 280--289
M. Lulli and
M. Bernaschi and
G. Parisi Highly optimized simulations on single-
and multi-GPU systems of the $3$D Ising
spin glass model . . . . . . . . . . . . 290--303
Athanasios Mokos and
Benedict D. Rogers and
Peter K. Stansby and
José M. Domínguez Multi-phase SPH modelling of violent
hydrodynamics on GPUs . . . . . . . . . 304--316
K. C. Ng and
Y. H. Hwang and
T. W. H. Sheu and
C. H. Yu Moving Particle Level-Set (MPLS) method
for incompressible multiphase flow
computation . . . . . . . . . . . . . . 317--334
Pavel F. Bessarab and
Valery M. Uzdin and
Hannes Jónsson Method for finding mechanism and
activation energy of magnetic
transitions, applied to skyrmion and
antivortex annihilation . . . . . . . . 335--347
Mikhail V. Popov and
Tatiana G. Elizarova Smoothed MHD equations for numerical
simulations of ideal quasi-neutral gas
dynamic flows . . . . . . . . . . . . . 348--361
J. M. Solano-Altamirano and
Julio M. Hernández-Pérez DensToolKit: a comprehensive open-source
package for analyzing the electron
density and its derivative scalar and
vector fields . . . . . . . . . . . . . 362--371
L. F. Hernández-García and
V. Cabrera-Arenas and
L. M. Reséndiz-Mendoza On the convergence of the algorithm for
simulating organic solar cells . . . . . 372--379
Ryo Urano and
Yuko Okamoto Designed-walk replica-exchange method
for simulations of complex systems . . . 380--383
E. V. Aksenova and
D. I. Kokorin and
V. P. Romanov Simulation of multiple scattering in the
systems with complicated phase function 384--389
M. E. Wosniack and
E. P. Raposo and
G. M. Viswanathan and
M. G. E. da Luz A parallel algorithm for random searches 390--397
Olivier Parcollet and
Michel Ferrero and
Thomas Ayral and
Hartmut Hafermann and
Igor Krivenko and
Laura Messio and
Priyanka Seth TRIQS: a toolbox for research on
interacting quantum systems . . . . . . 398--415
A. Jablonski The Chandrasekhar function revisited . . 416--428
John Tracey and
Filippo Federici Canova and
Olli Keisanen and
David Z. Gao and
Peter Spijker and
Bernhard Reischl and
Adam S. Foster Flexible and modular virtual scanning
probe microscope . . . . . . . . . . . . 429--438
Andrew Ian Duff and
M. W. Finnis and
Philippe Maugis and
Barend J. Thijsse and
Marcel H. F. Sluiter MEAMfit: a reference-free modified
embedded atom method (RF-MEAM) energy
and force-fitting code . . . . . . . . . 439--445
Alfonso Niño and
Camelia Muñoz-Caro and
Sebastián Reyes APINetworks: a general API for the
treatment of complex networks in
arbitrary computational environments . . 446--454
Zachary H. Levine and
Adam L. Pintar A fixed-memory moving, expanding window
for obtaining scatter corrections in
X-ray CT and other stochastic averages 455--459
Iurii Timrov and
Nathalie Vast and
Ralph Gebauer and
Stefano Baroni turboEELS --- a code for the simulation
of the electron energy loss and
inelastic X-ray scattering spectra using
the Liouville--Lanczos approach to
time-dependent density-functional
perturbation theory . . . . . . . . . . 460--469
S. Borowka and
G. Heinrich and
S. P. Jones and
M. Kerner and
J. Schlenk and
T. Zirke SecDec-3.0: Numerical evaluation of
multi-scale integrals beyond one loop 470--491
Rodrigo Aldecoa and
Chiara Orsini and
Dmitri Krioukov Hyperbolic graph generator . . . . . . . 492--496
David A. Kosower and
J. J. Lopez-Villarejo Flowgen: Flowchart-based documentation
for C++ codes . . . . . . . . . . . . . 497--505
Christian Y. Cardall and
Reuben D. Budiardja GenASiS Basics: Object-oriented
utilitarian functionality for
large-scale physics simulations . . . . 506--534
Jong Soo Kim and
Daniel Schmeier and
Jamie Tattersall and
Krzysztof Rolbiecki A framework to create customised LHC
analyses within CheckMATE . . . . . . . 535--562
Karol Kolodziej carlomat\_3.0, an automatic tool for the
electron-positron annihilation into
hadrons at low energies . . . . . . . . 563--568
Carlos A. Argüelles Delgado and
Jordi Salvado and
Christopher N. Weaver A Simple Quantum Integro-Differential
Solver (SQuIDS) . . . . . . . . . . . . 569--591
M. Bury and
A. van Hameren Numerical evaluation of multi-gluon
amplitudes for High Energy Factorization 592--598
A. Butykai and
F. M. Mor and
R. Gaál and
P. Domínguez-García and
L. Forró and
S. Jeney Calibration of optical tweezers with
non-spherical probes via high-resolution
detection of Brownian motion . . . . . . 599--610
Mikael Leetmaa and
Natalia V. Skorodumova KMCLib 1.1: Extended random number
support and technical updates to the
KMCLib general framework for kinetic
Monte-Carlo simulations . . . . . . . . 611--613
David A. Bonhommeau MCMC$^2$ (version 1.1.1): a Monte Carlo
code for multiply charged clusters . . . 614--616
Enrico Bothmann and
Nathan Hartland and
Steffen Schumann Introducing MCgrid 2.0: Projecting cross
section calculations on grids . . . . . 617--618
Laurent Orgogozo RichardsFoam2: a new version of
RichardsFoam devoted to the modelling of
the vadose zone . . . . . . . . . . . . 619--620
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Hugh F. Wilson Efficient ab initio free energy
calculations by classically assisted
trajectory sampling . . . . . . . . . . 1--6
Andrzej Biborski and
Andrzej P. Kadzielawa and
Józef Spalek Combined shared and distributed memory
ab-initio computations of
molecular-hydrogen systems in the
correlated state: Process pool solution
and two-level parallelism . . . . . . . 7--16
V. V. Arsoski and
N. A. Cukari\'c and
M. Z. Tadi\'c and
F. M. Peeters An efficient finite-difference scheme
for computation of electron states in
free-standing and core-shell quantum
wires . . . . . . . . . . . . . . . . . 17--26
Safa Jamali and
Arman Boromand and
Shaghayegh Khani and
Joao Maia Gaussian-inspired auxiliary
non-equilibrium thermostat (GIANT) for
Dissipative Particle Dynamics
simulations . . . . . . . . . . . . . . 27--34
Yali Gao and
Liquan Mei and
Rui Li A time-splitting Galerkin finite element
method for the Davey--Stewartson
equations . . . . . . . . . . . . . . . 35--42
Ali Shokri and
Fatemeh Afshari High-order compact ADI method using
predictor-corrector scheme for $2$D
complex Ginzburg--Landau equation . . . 43--50
Ziguang Chen and
Florin Bobaru Selecting the kernel in a peridynamic
formulation: a study for transient heat
diffusion . . . . . . . . . . . . . . . 51--60
Motoki Nakata and
Masanori Nunami and
Tomo-Hiko Watanabe and
Hideo Sugama Improved collision operator for plasma
kinetic simulations with multi-species
ions and electrons . . . . . . . . . . . 61--72
G. Chen and
L. Chacón A multi-dimensional, energy- and
charge-conserving, nonlinearly implicit,
electromagnetic Vlasov--Darwin
particle-in-cell algorithm . . . . . . . 73--87
Alejandro López and
William Nicholls and
Matthew T. Stickland and
William M. Dempster CFD study of Jet Impingement Test
erosion using Ansys Fluent$^\reg $ and
OpenFOAM$^\reg $ . . . . . . . . . . . . 88--95
Jingwen Wu and
Hongjiong Tian Functionally-fitted block methods for
second order ordinary differential
equations . . . . . . . . . . . . . . . 96--108
K. Gilmore and
John Vinson and
E. L. Shirley and
D. Prendergast and
C. D. Pemmaraju and
J. J. Kas and
F. D. Vila and
J. J. Rehr Efficient implementation of
core-excitation Bethe--Salpeter equation
calculations . . . . . . . . . . . . . . 109--117
E. Estevez-Rams and
C. Perez-Demydenko and
B. Aragón Fernández and
R. Lora-Serrano Visualizing long vectors of measurements
by use of the Hilbert curve . . . . . . 118--127
Ryo Urano and
Yuko Okamoto Deterministic replica-exchange method
without pseudo random numbers for
simulations of complex systems . . . . . 128--135
Andrew T. Barker and
Martin Stoll Domain decomposition in time for
PDE-constrained optimization . . . . . . 136--143
Peicheng Yu and
Xinlu Xu and
Adam Tableman and
Viktor K. Decyk and
Frank S. Tsung and
Frederico Fiuza and
Asher Davidson and
Jorge Vieira and
Ricardo A. Fonseca and
Wei Lu and
Luis O. Silva and
Warren B. Mori Mitigation of numerical Cerenkov
radiation and instability using a hybrid
finite difference-FFT Maxwell solver and
a local charge conserving current
deposit . . . . . . . . . . . . . . . . 144--152
Changfeng Xue and
Qiongwei Huang and
Shaozhong Deng Coulomb Green's function and image
potential near a cylindrical diffuse
interface . . . . . . . . . . . . . . . 153--168
S. Edvardsson and
M. Neuman and
P. Edström and
H. Olin Solving equations through particle
dynamics . . . . . . . . . . . . . . . . 169--181
N. Mohankumar and
Soubhadra Sen Some remarks regarding a modified
Gauss--Legendre scheme . . . . . . . . . 182--184
Marius Wallraff and
Christopher Wiebusch Calculation of oscillation probabilities
of atmospheric neutrinos using nuCraft 185--189
C. Voglis and
P. E. Hadjidoukas and
K. E. Parsopoulos and
D. G. Papageorgiou and
I. E. Lagaris and
M. N. Vrahatis p-MEMPSODE: Parallel and irregular
memetic global optimization . . . . . . 190--211
Pierre Hirel Atomsk: a tool for manipulating and
converting atomic data files . . . . . . 212--219
Christos Dimitroulis and
Theophanes Raptis and
Vasilios Raptis POLYANA --- A tool for the calculation
of molecular radial distribution
functions based on Molecular Dynamics
trajectories . . . . . . . . . . . . . . 220--226
Marco Lauricella and
Giuseppe Pontrelli and
Ivan Coluzza and
Dario Pisignano and
Sauro Succi JETSPIN: a specific-purpose open-source
software for simulations of nanofiber
electrospinning . . . . . . . . . . . . 227--238
Celine Degrande Automatic evaluation of UV and $ R_2 $
terms for beyond the Standard Model
Lagrangians: a proof-of-principle . . . 239--262
D. Barducci and
A. Belyaev and
M. Buchkremer and
J. Marrouche and
S. Moretti and
L. Panizzi XQCAT: eXtra Quark Combined Analysis
Tool . . . . . . . . . . . . . . . . . . 263--275
Hiren H. Patel Package-X: a Mathematica package for the
analytic calculation of one-loop
integrals . . . . . . . . . . . . . . . 276--290
I. Hornyak and
A. T. Kruppa An algorithm for the calculation of the
partial wave expansion of the
Coulomb-distorted plane wave . . . . . . 291--297
Yukihiro Komura OpenACC programs of the Swendsen--Wang
multi-cluster spin flip algorithm . . . 298--303
Sunhwan Jo and
Wei Jiang A generic implementation of replica
exchange with solute tempering (REST2)
algorithm in NAMD for complex
biophysical simulations . . . . . . . . 304--311
Johan Alwall and
Claude Duhr and
Benjamin Fuks and
Olivier Mattelaer and
Deniz Gizem Öztürk and
Chia-Hsien Shen Computing decay rates for new physics
theories with FeynRules and MadGraph
5$_{\rm aMC@NLO}$ . . . . . . . . . . . 312--323
Predrag Lazi\'c CellMatch: Combining two unit cells into
a common supercell with minimal strain 324--334
Chao-Hsi Chang and
Xian-You Wang and
Xing-Gang Wu BCVEGPY2.2: a newly upgraded version for
hadronic production of the meson $ B_c $
and its excited states . . . . . . . . . 335--338
Peter Wittek and
Luca Calderaro Extended computational kernels in a
massively parallel implementation of the
Trotter--Suzuki approximation . . . . . 339--340
Zhong-Li Liu Phasego 2.0: Counting full anharmonic
effects from high-temperature phonon
density of states . . . . . . . . . . . 341--342
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iv--v
M. A. Esmaili Sikarudi and
A. H. Nikseresht Neumann and Robin boundary conditions
for heat conduction modeling using
smoothed particle hydrodynamics . . . . 1--11
Yuri Eremin and
Thomas Wriedt Discrete Sources Method for light
scattering analysis of non-axisymmetric
features of a substrate . . . . . . . . 12--21
L. Ciocci Brazzano and
L. J. Pellizza and
C. L. Matteo and
P. A. Sorichetti A Bayesian method for analysing
relaxation spectra . . . . . . . . . . . 22--30
Q. Z. Lv and
D. J. Jennings and
J. Betke and
Q. Su and
R. Grobe Optimized spatial matrix representations
of quantum Hamiltonians . . . . . . . . 31--40
Ianik Plante Calculation of the second term of the
exact Green's function of the diffusion
equation for diffusion-controlled
chemical reactions . . . . . . . . . . . 41--46
E. Camporeale and
G. L. Delzanno and
B. K. Bergen and
J. D. Moulton On the velocity space discretization for
the Vlasov--Poisson system: Comparison
between implicit Hermite spectral and
Particle-in-Cell methods . . . . . . . . 47--58
Xinmin Ge and
Hua Wang and
Yiren Fan and
Yingchang Cao and
Hua Chen and
Rui Huang Joint inversion of $ T_1 - T_2 $
spectrum combining the iterative
truncated singular value decomposition
and the parallel particle swarm
optimization algorithms . . . . . . . . 59--70
A. Ammon and
A. Genz and
T. Hartung and
K. Jansen and
H. Leövey and
J. Volmer On the efficient numerical solution of
lattice systems with low-order couplings 71--81
Dawei Zheng and
Gisela Pöplau and
Ursula van Rienen Efficiency optimization of a fast
Poisson solver in beam dynamics
simulation . . . . . . . . . . . . . . . 82--96
H. Q. Kafri and
S. A. Khuri Bratu's problem: a novel approach using
fixed-point iterations and Green's
functions . . . . . . . . . . . . . . . 97--104
D. Jarema and
H. J. Bungartz and
T. Görler and
F. Jenko and
T. Neckel and
D. Told Block-structured grids for Eulerian
gyrokinetic simulations . . . . . . . . 105--117
Hang Xie and
Feng Jiang and
Wei E. I. Sha Numerical methods for spin-dependent
transport calculations and spin bound
states analysis in Rashba waveguides . . 118--127
Szymon Winczewski and
Jacek Dziedzic and
Jaroslaw Rybicki A highly-efficient technique for
evaluating bond-orientational order
parameters . . . . . . . . . . . . . . . 128--138
Andreas Stegmeir and
David Coster and
Omar Maj and
Klaus Hallatschek and
Karl Lackner The field line map approach for
simulations of magnetically confined
plasmas . . . . . . . . . . . . . . . . 139--153
Jaron T. Krogel Nexus: a modular workflow management
system for quantum simulation codes . . 154--168
Timo Graen and
Helmut Grubmüller NuSol --- Numerical solver for the $3$D
stationary nuclear Schrödinger equation 169--178
Sandra Vergara-Perez and
Marcelo Marucho MPBEC, a Matlab Program for Biomolecular
Electrostatic Calculations . . . . . . . 179--194
Vinzenz Maurer T3PS v1.0: Tool for Parallel Processing
in Parameter Scans . . . . . . . . . . . 195--215
Khalid Jamil and
Siraj-ul-Islam Ahmad and
Shahid Manzoor HIBRA: a computer code for heavy ion
binary reaction analysis employing ion
track detectors . . . . . . . . . . . . 216--221
Petr Hosek and
Vojtech Spiwok Metadyn View: Fast web-based viewer of
free energy surfaces calculated by
metadynamics . . . . . . . . . . . . . . 222--229
T. Hynninen and
L. Himanen and
V. Parkkinen and
T. Musso and
J. Corander and
A. S. Foster An object oriented Python interface for
atomistic simulations . . . . . . . . . 230--237
Hua-Sheng Shao HELAC-Onia 2.0: an upgraded
matrix-element and event generator for
heavy quarkonium physics . . . . . . . . 238--259
Feng Feng APart 2: a generalized Mathematica Apart
function . . . . . . . . . . . . . . . . 260--261
P. J. J. Luukko and
E. Räsänen Corrigendum to ``Imaginary time
propagation code for large-scale
two-dimensional eigenvalue problems in
magnetic fields'' [Comput. Phys. Comm.
\bf 184(3) (2013) 769--776] . . . . . . 262
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Djurre H. de Jong and
Svetlana Baoukina and
Helgi I. Ingólfsson and
Siewert J. Marrink Martini straight: Boosting performance
using a shorter cutoff and GPUs . . . . 1--7
K. Silpaja Chandrasekar and
M. V. Sangaranarayanan Exact enumeration of conformations for
two and three dimensional lattice
proteins . . . . . . . . . . . . . . . . 8--11
R. G. M. van der Sman and
M. B. J. Meinders Analysis of improved Lattice Boltzmann
phase field method for soluble
surfactants . . . . . . . . . . . . . . 12--21
A. V. Vlasenko and
A. Köhl and
D. Stammer The efficiency of geophysical adjoint
codes generated by automatic
differentiation tools . . . . . . . . . 22--28
M. Held and
M. Wiesenberger and
A. Stegmeir Three discontinuous Galerkin schemes for
the anisotropic heat conduction equation
on non-aligned grids . . . . . . . . . . 29--39
J. Eriksson and
S. Conroy and
E. Andersson Sundén and
C. Hellesen Calculating fusion neutron energy
spectra from arbitrary reactant
distributions . . . . . . . . . . . . . 40--46
Chiaki Yamaguchi Proposal of a checking parameter in the
simulated annealing method applied to
the spin glass model . . . . . . . . . . 47--52
S. Sitarek and
T. Stacewicz and
M. Posyniak Software for retrieval of aerosol
particle size distribution from
multiwavelength lidar signals . . . . . 53--60
Chun Shen and
Zhi Qiu and
Huichao Song and
Jonah Bernhard and
Steffen Bass and
Ulrich Heinz The iEBE--VISHNU code package for
relativistic heavy-ion collisions . . . 61--85
N. Davidson and
T. Przedzinski and
Z. Was PHOTOS interface in C++: Technical and
physics documentation . . . . . . . . . 86--101
Julio Almansa and
Francesc Salvat-Pujol and
Gloria Díaz-Londoño and
Artur Carnicer and
Antonio M. Lallena and
Francesc Salvat PENGEOM --- A general-purpose geometry
package for Monte Carlo simulation of
radiation transport in material systems
defined by quadric surfaces . . . . . . 102--113
César Ayala and
Gorazd Cvetic anQCD: Fortran programs for couplings at
complex momenta in various analytic QCD
models . . . . . . . . . . . . . . . . . 114--117
A. Dobrowolski and
K. Pomorski and
J. Bartel Solving the eigenvalue problem of the
nuclear Yukawa-folded mean-field
Hamiltonian . . . . . . . . . . . . . . 118--132
J. Solanpää and
P. J. J. Luukko and
E. Räsänen Bill2d --- A software package for
classical two-dimensional Hamiltonian
systems . . . . . . . . . . . . . . . . 133--138
Stéphane Balac and
Arnaud Fernandez SPIP: a computer program implementing
the Interaction Picture method for
simulation of light-wave propagation in
optical fibre . . . . . . . . . . . . . 139--152
Serguei Patchkovskii and
H. G. Muller Simple, accurate, and efficient
implementation of $1$-electron atomic
time-dependent Schrödinger equation in
spherical coordinates . . . . . . . . . 153--169
Miroslav Urbanek and
Pavel Soldán Parallel implementation of the
time-evolving block decimation algorithm
for the Bose--Hubbard model . . . . . . 170--177
Zackary Falls and
David C. Lonie and
Patrick Avery and
Andrew Shamp and
Eva Zurek XtalOpt version r9: an open-source
evolutionary algorithm for crystal
structure prediction . . . . . . . . . . 178--179
Matthew O. Zacate and
William E. Evenson Stochastic hyperfine interactions
modeling library --- Version 2 . . . . . 180--181
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
G. Oger and
D. Le Touzé and
D. Guibert and
M. de Leffe and
J. Biddiscombe and
J. Soumagne and
J.-G. Piccinali On distributed memory MPI-based
parallelization of SPH codes in massive
HPC context . . . . . . . . . . . . . . 1--14
Steven B. Beale and
Hae-Won Choi and
Jon G. Pharoah and
Helmut K. Roth and
Hrvoje Jasak and
Dong Hyup Jeon Open-source computational model of a
solid oxide fuel cell . . . . . . . . . 15--26
Christopher Barrett and
Lin-Wang Wang A systematic fitting procedure for
accurate force field models to reproduce
ab initio phonon spectra of
nanostructures . . . . . . . . . . . . . 27--36
D. M. Kennes and
C. Karrasch Extending the range of real time density
matrix renormalization group simulations 37--43
Lajos Szalmás A fast iterative discrete velocity
method for ternary gas mixtures flowing
through long tubes . . . . . . . . . . . 44--49
Petr Bauer and
Vladimír Klement and
Tomás Oberhuber and
Vítezslav Zabka Implementation of the Vanka-type
multigrid solver for the finite element
approximation of the Navier--Stokes
equations on GPU . . . . . . . . . . . . 50--56
Jaewoon Jung and
Chigusa Kobayashi and
Toshiyuki Imamura and
Yuji Sugita Parallel implementation of $3$D FFT with
volumetric decomposition schemes for
efficient molecular dynamics simulations 57--65
Sh. Khorasanizade and
J. M. M. Sousa A two-dimensional Segmented Boundary
Algorithm for complex moving solid
boundaries in Smoothed Particle
Hydrodynamics . . . . . . . . . . . . . 66--75
L. Di Gallo and
C. Reux and
F. Imbeaux and
J.-F. Artaud and
M. Owsiak and
B. Saoutic and
G. Aiello and
P. Bernardi and
G. Ciraolo and
J. Bucalossi and
J.-L. Duchateau and
C. Fausser and
D. Galassi and
P. Hertout and
J.-C. Jaboulay and
A. Li-Puma and
L. Zani Coupling between a multi-physics
workflow engine and an optimization
framework . . . . . . . . . . . . . . . 76--86
Wenhui Mi and
Xuecheng Shao and
Chuanxun Su and
Yuanyuan Zhou and
Shoutao Zhang and
Quan Li and
Hui Wang and
Lijun Zhang and
Maosheng Miao and
Yanchao Wang and
Yanming Ma ATLAS: a real-space finite-difference
implementation of orbital-free density
functional theory . . . . . . . . . . . 87--95
Phanisri P. Pratapa and
Phanish Suryanarayana and
John E. Pask Spectral Quadrature method for accurate
$ \mathcal {O}(N) $ electronic structure
calculations of metals and insulators 96--107
Yibao Li and
Hyun Geun Lee and
Binhu Xia and
Junseok Kim A compact fourth-order finite difference
scheme for the three-dimensional
Cahn--Hilliard equation . . . . . . . . 108--116
H. P. Bhatt and
A. Q. M. Khaliq Fourth-order compact schemes for the
numerical simulation of coupled Burgers'
equation . . . . . . . . . . . . . . . . 117--138
Zi He and
Ru-Shan Chen Fast analysis of wide-band scattering
from electrically large targets with
time-domain parabolic equation method 139--146
H. Vincenti and
J.-L. Vay Detailed analysis of the effects of
stencil spatial variations with
arbitrary high-order finite-difference
Maxwell solver . . . . . . . . . . . . . 147--167
Marian Kupczynski and
Hans De Raedt Breakdown of statistical inference from
some random experiments . . . . . . . . 168--175
Yu-Xuan He and
Liang Li and
Stéphane Lanteri and
Ting-Zhu Huang Optimized Schwarz algorithms for solving
time-harmonic Maxwell's equations
discretized by a hybridizable
discontinuous Galerkin method . . . . . 176--181
Maxime Lesur Method- and scheme-independent entropy
production in turbulent kinetic
simulations . . . . . . . . . . . . . . 182--189
Marco Sant and
Andrea Gabrieli and
Pierfranco Demontis and
Giuseppe B. Suffritti InfiniCharges: a tool for generating
partial charges via the simultaneous fit
of multiframe electrostatic potential
(ESP) and total dipole fluctuations
(TDF) . . . . . . . . . . . . . . . . . 190--198
P. Descouvemont An $R$-matrix package for
coupled-channel problems in nuclear
physics . . . . . . . . . . . . . . . . 199--219
T. A. Welsh and
D. J. Rowe A computer code for calculations in the
algebraic collective model of the atomic
nucleus . . . . . . . . . . . . . . . . 220--253
Bernd A. Berg Least square fitting with one explicit
parameter less . . . . . . . . . . . . . 254--258
S. Edvardsson and
K. Karlsson and
H. Olin corr3p\_tr: a particle approach for the
general three-body problem . . . . . . . 259--273
Priyanka Seth and
Igor Krivenko and
Michel Ferrero and
Olivier Parcollet TRIQS/CTHYB: a continuous-time quantum
Monte Carlo hybridisation expansion
solver for quantum impurity problems . . 274--284
C. Carasco COuntLOss in NEutron multiplicity
assessment (COLONEMA) . . . . . . . . . 285--290
S. Bn\`a and
S. Manservisi and
R. Scardovelli and
P. Yecko and
S. Zaleski Vofi --- A library to initialize the
volume fraction scalar field . . . . . . 291--299
Felix Gremse and
Andreas Höfter and
Lukas Razik and
Fabian Kiessling and
Uwe Naumann GPU-accelerated adjoint algorithmic
differentiation . . . . . . . . . . . . 300--311
G. Ciaramella and
A. Borz\`\i A LONE code for the sparse control of
quantum systems . . . . . . . . . . . . 312--323
Philipp Neumann and
Hanno Flohr and
Rahul Arora and
Piet Jarmatz and
Nikola Tchipev and
Hans-Joachim Bungartz MaMiCo: Software design for parallel
molecular-continuum flow simulations . . 324--335
Vincent Bonnivard and
Moritz Hütten and
Emmanuel Nezri and
Aldée Charbonnier and
Céline Combet and
David Maurin CLUMPY: Jeans analysis, $ \gamma $-ray
and $ \nu $ fluxes from dark matter
(sub-)structures . . . . . . . . . . . . 336--349
D. Regnier and
M. Verri\`ere and
N. Dubray and
N. Schunck FELIX-1.0: a finite element solver for
the time dependent generator coordinate
method with the Gaussian overlap
approximation . . . . . . . . . . . . . 350--363
Cory M. Simon and
Berend Smit and
Maciej Haranczyk pyIAST: Ideal adsorbed solution theory
(IAST) Python package . . . . . . . . . 364--380
Hongliang Lü and
Anthony Marchix and
Yasuhisa Abe and
David Boilley KEWPIE2: a cascade code for the study of
dynamical decay of excited nuclei . . . 381--399
Yukihiro Komura and
Yutaka Okabe Improved CUDA programs for GPU computing
of Swendsen--Wang multi-cluster spin
flip algorithm: $2$D and $3$D Ising,
Potts, and XY models . . . . . . . . . . 400--401
M. S. Guskova and
L. Yu. Barash and
L. N. Shchur RNGAVXLIB: Program library for random
number generation, AVX realization . . . 402--405
Vladimir Loncar and
Antun Balaz and
Aleksandar Bogojevi\'c and
Srdjan Skrbi\'c and
Paulsamy Muruganandam and
Sadhan K. Adhikari CUDA programs for solving the
time-dependent dipolar Gross--Pitaevskii
equation in an anisotropic trap . . . . 406--410
Bogdan Satari\'c and
Vladimir Slavni\'c and
Aleksandar Beli\'c and
Antun Balaz and
Paulsamy Muruganandam and
Sadhan K. Adhikari Hybrid OpenMP/MPI programs for solving
the time-dependent Gross--Pitaevskii
equation in a fully anisotropic trap . . 411--417
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Jacopo Corno and
Carlo de Falco and
Herbert De Gersemo and
Sebastian Schöps Isogeometric simulation of Lorentz
detuning in superconducting accelerator
cavities . . . . . . . . . . . . . . . . 1--7
Nikolas S. Burkoff and
Robert J. N. Baldock and
Csilla Várnai and
David L. Wild and
Gábor Csányi Exploiting molecular dynamics in Nested
Sampling simulations of small peptides 8--18
D. Regnier and
O. Litaize and
O. Serot An improved numerical method to compute
neutron/gamma deexcitation cascades
starting from a high spin state . . . . 19--28
B. F. L. Ward IR-improved DGLAP-CS QCD parton showers
in Pythia8 . . . . . . . . . . . . . . . 29--32
Jinliang Yan and
Zhiyue Zhang New energy-preserving schemes using
Hamiltonian Boundary Value and Fourier
pseudospectral methods for the numerical
solution of the ``good'' Boussinesq
equation . . . . . . . . . . . . . . . . 33--42
Xiaoyang Xu and
Xiao-Long Deng An improved weakly compressible SPH
method for simulating free surface flows
of viscous and viscoelastic fluids . . . 43--62
Chi-Ti Hsieh and
Tung-Han Hsieh and
Shu-Wei Chang Improving accuracy using subpixel
smoothing for multiband effective-mass
Hamiltonians of semiconductor
nanostructures . . . . . . . . . . . . . 63--76
Xuesong Li and
William F. Northrop A Markov Chain-based quantitative study
of angular distribution of photons
through turbid slabs via isotropic light
scattering . . . . . . . . . . . . . . . 77--84
T. V. Laptyeva and
E. A. Kozinov and
I. B. Meyerov and
M. V. Ivanchenko and
S. V. Denisov and
P. Hänggi Calculating Floquet states of large
quantum systems: a parallelization
strategy and its cluster implementation 85--94
Perri J. Needham and
Ashraf Bhuiyan and
Ross C. Walker Extension of the AMBER molecular
dynamics software to Intel's Many
Integrated Core (MIC) architecture . . . 95--105
Casey N. Brock and
Brandon C. Paikoff and
Muhammad I. Md Sallih and
Alan R. Tackett and
D. Greg Walker Force-based optimization of
pseudopotentials for non-equilibrium
configurations . . . . . . . . . . . . . 106--118
Christian Vorwerk and
Caterina Cocchi and
Claudia Draxl LayerOptics: Microscopic modeling of
optical coefficients in layered
materials . . . . . . . . . . . . . . . 119--125
Daniele Linaro and
Marco Storace \sc BAL: a library for the brute-force
analysis of dynamical systems . . . . . 126--134
Kristian Ejlebjerg Jensen and
Gerard Gorman Details of tetrahedral anisotropic mesh
adaptation . . . . . . . . . . . . . . . 135--143
Janusz Rosiek MassToMI --- A Mathematica package for
an automatic Mass Insertion expansion 144--158
Michal Walczak and
Helmut Grubmüller BASDet: Bayesian approach(es) for
structure determination from single
molecule X-ray diffraction images . . . 159--166
A. Semenov LanHEP --- A package for automatic
generation of Feynman rules from the
Lagrangian. Version 3.2 . . . . . . . . 167--170
Frank Tabakin QDENSITY/QCWAVE: a Mathematica quantum
computer simulation update . . . . . . . 171--172
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
E. Assmann and
P. Wissgott and
J. Kunes and
A. Toschi and
P. Blaha and
K. Held \tt woptic: Optical conductivity with
Wannier functions and adaptive $k$-mesh
refinement . . . . . . . . . . . . . . . 1--11
Bartosz D. Wozniak and
Freddie D. Witherden and
Francis P. Russell and
Peter E. Vincent and
Paul H. J. Kelly GiMMiK ---- Generating bespoke matrix
multiplication kernels for accelerators:
Application to high-order Computational
Fluid Dynamics . . . . . . . . . . . . . 12--22
Christopher D. Cooper and
Lorena A. Barba Poisson--Boltzmann model for
protein-surface electrostatic
interactions and grid-convergence study
using the PyGBe code . . . . . . . . . . 23--32
J. Ablinger and
A. Behring and
J. Blümlein and
A. De Freitas and
A. von Manteuffel and
C. Schneider Calculating three loop ladder and
$V$-topologies for massive operator
matrix elements by computer algebra . . 33--112
Florian Staub and
Peter Athron and
Ulrich Ellwanger and
Ramona Gröber and
Margarete Mühlleitner and
Pietro Slavich and
Alexander Voigt Higgs mass predictions of public NMSSM
spectrum generators . . . . . . . . . . 113--130
Ricardo B. Canelas and
Alejandro J. C. Crespo and
Jose M. Domínguez and
Rui M. L. Ferreira and
Moncho Gómez-Gesteira SPH-DCDEM model for arbitrary geometries
in free surface solid-fluid flows . . . 131--140
John R. Tramm and
Geoffrey Gunow and
Tim He and
Kord S. Smith and
Benoit Forget and
Andrew R. Siegel A task-based parallelism and vectorized
approach to $3$D Method of
Characteristics (MOC) reactor simulation
for high performance computing
architectures . . . . . . . . . . . . . 141--150
Toru Takahashi and
Yuta Shimba and
Hiroshi Isakari and
Toshiro Matsumoto An efficient blocking M2L translation
for low-frequency fast multipole method
in three dimensions . . . . . . . . . . 151--164
Phuc T. Luu and
T. Tückmantel and
A. Pukhov Voronoi particle merging algorithm for
PIC codes . . . . . . . . . . . . . . . 165--174
Ondrej Pártl and
Michal Benes and
Peter Frolkovic and
Tissa Illangasekare and
Kathleen Smits Numerical modeling of non-isothermal gas
flow and NAPL vapor transport in soil 175--187
Chung-Yuan Ren and
Yia-Chung Chang and
Chen-Shiung Hsue A mixed basis density functional
approach for one-dimensional systems
with B-splines . . . . . . . . . . . . . 188--195
Michael Wagner and
Uwe Hampel and
Martina Bieberle Correct averaging in transmission
radiography: Analysis of the inverse
problem . . . . . . . . . . . . . . . . 196--203
I. A. Surmin and
S. I. Bastrakov and
E. S. Efimenko and
A. A. Gonoskov and
A. V. Korzhimanov and
I. B. Meyerov Particle-in-Cell laser--plasma
simulation on Xeon Phi coprocessors . . 204--210
Ivan Gonoskov and
Mattias Marklund Single-step propagators for calculation
of time evolution in quantum systems
with arbitrary interactions . . . . . . 211--215
Zelimir Marojevi\'c and
Ertan Göklü and
Claus Lämmerzahl ATUS--PRO: a FEM-based solver for the
time-dependent and stationary
Gross--Pitaevskii equation . . . . . . . 216--232
Pedro Duarte Santos and
Andrea Lani An object-oriented implementation of a
parallel Monte Carlo code for radiation
transport . . . . . . . . . . . . . . . 233--261
Sergei N. Yurchenko and
Lorenzo Lodi and
Jonathan Tennyson and
Andrey V. Stolyarov Duo: a general program for calculating
spectra of diatomic molecules . . . . . 262--275
Björn C. P. Sturmberg and
Kokou B. Dossou and
Felix J. Lawrence and
Christopher G. Poulton and
Ross C. McPhedran and
C. Martijn de Sterke and
Lindsay C. Botten EMUstack: an open source route to
insightful electromagnetic computation
via the Bloch mode scattering matrix
method . . . . . . . . . . . . . . . . . 276--286
Oleg Zatsarinny and
Charlotte Froese Fischer DBSR\_HF: a B-spline
Dirac--Hartree--Fock program . . . . . . 287--303
Matteo T. Degiacomi and
Valentina Erastova and
Mark R. Wilson Easy creation of polymeric systems for
molecular dynamics with Assemble! . . . 304--309
Helmut Eberl and
Vassilis C. Spanos GravitinoPack and decays of
supersymmetric metastable particles . . 310--325
Lukas Einkemmer High performance computing aspects of a
dimension independent semi-Lagrangian
discontinuous Galerkin code . . . . . . 326--336
Endre Somogyi and
Andrew Abi Mansour and
Peter J. Ortoleva ProtoMD: a prototyping toolkit for
multiscale molecular dynamics . . . . . 337--350
Rob Verheyen RGIsearch: a C++ program for the
determination of renormalization group
invariants . . . . . . . . . . . . . . . 351--355
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Nigel Cundy and
Weonjong Lee The eigSUMR inverter for overlap
fermions . . . . . . . . . . . . . . . . 1--17
Aviad Roitgrund and
Gad Eilam and
Shaouly Bar-Shalom Implementation of the manifest
left-right symmetric model in FeynRules 18--44
Michael P. Howard and
Joshua A. Anderson and
Arash Nikoubashman and
Sharon C. Glotzer and
Athanassios Z. Panagiotopoulos Efficient neighbor list calculation for
molecular simulation of colloidal
systems using graphics processing units 45--52
Mikael Mortensen and
Hans Petter Langtangen High performance Python for direct
numerical simulations of turbulent flows 53--65
Rémi Lehe and
Manuel Kirchen and
Igor A. Andriyash and
Brendan B. Godfrey and
Jean-Luc Vay A spectral, quasi-cylindrical and
dispersion-free Particle-In-Cell
algorithm . . . . . . . . . . . . . . . 66--82
Yannick Gillet and
Matteo Giantomassi and
Xavier Gonze Efficient on-the-fly interpolation
technique for Bethe--Salpeter
calculations of optical spectra . . . . 83--93
C. D. Sijoy and
S. Chaturvedi Combining node-centered parallel
radiation transport and higher-order
multi-material cell-centered
hydrodynamics methods in
three-temperature radiation
hydrodynamics code TRHD . . . . . . . . 94--109
In-Ho Lee and
Young Jun Oh and
Sunghyun Kim and
Jooyoung Lee and
K. J. Chang Ab initio materials design using
conformational space annealing and its
application to searching for direct band
gap silicon crystals . . . . . . . . . . 110--121
Ji Qiang Efficient three-dimensional Poisson
solvers in open rectangular conducting
pipe . . . . . . . . . . . . . . . . . . 122--127
T. Korpilo and
A. D. Gurchenko and
E. Z. Gusakov and
J. A. Heikkinen and
S. J. Janhunen and
T. P. Kiviniemi and
S. Leerink and
P. Niskala and
A. A. Perevalov Gyrokinetic full-torus simulations of
ohmic tokamak plasmas in circular
limiter configuration . . . . . . . . . 128--137
George Rawitscher Tunneling through a barrier with the
phase-amplitude method . . . . . . . . . 138--146
A. W. Bray and
I. B. Abdurakhmanov and
A. S. Kadyrov and
D. V. Fursa and
I. Bray Solving close-coupling equations in
momentum space without singularities II 147--151
Keiichi Ito and
Ivo Couckuyt and
Silvia Poles and
Tom Dhaene Variance-based interaction index
measuring heteroscedasticity . . . . . . 152--161
T. P. Kiviniemi and
U. Sauerwein The effects of spatial sampling on
random noise for gyrokinetic PIC
simulations in real space . . . . . . . 162--167
Qing-Xiao Li and
Rong-Qiang He and
Zhong-Yi Lu Accelerating optimization by tracing
valley . . . . . . . . . . . . . . . . . 168--177
Nuno Cardoso and
David Emmanuel-Costa and
Nuno Gonçalves and
C. Simões SOSpin, a C++ library for Yukawa
decomposition in $ {\rm SO}(2 N) $
models . . . . . . . . . . . . . . . . . 178--200
Jackelyn A. Martinez and
Aleksandr Chernatynskiy and
Dundar E. Yilmaz and
Tao Liang and
Susan B. Sinnott and
Simon R. Phillpot Potential Optimization Software for
Materials (POSMat) . . . . . . . . . . . 201--211
Connie W. Gao and
Joshua W. Allen and
William H. Green and
Richard H. West Reaction Mechanism Generator: Automatic
construction of chemical kinetic
mechanisms . . . . . . . . . . . . . . . 212--225
R. Ramis and
J. Meyer-ter-Vehn MULTI--IFE --- a one-dimensional
computer code for Inertial Fusion Energy
(IFE) target simulations . . . . . . . . 226--237
Shuyuan Xiao and
Xueli Mu and
Tingting Liu and
Hong Chen A Mathematica program for the
calculation of five-body Moshinsky
brackets . . . . . . . . . . . . . . . . 238--244
Guillaume Ducrozet and
Félicien Bonnefoy and
David Le Touzé and
Pierre Ferrant HOS-ocean: Open-source solver for
nonlinear waves in open ocean based on
High-Order Spectral method . . . . . . . 245--254
Roman N. Lee and
Kirill T. Mingulov Introducing SummerTime: a package for
high-precision computation of sums
appearing in DRA $^1$ method . . . . . . 255--267
M. Rabie and
C. M. Franck METHES: a Monte Carlo collision code for
the simulation of electron transport in
low temperature plasmas . . . . . . . . 268--277
V. Vuorinen and
K. Keskinen DNSLab: a gateway to turbulent flow
simulation in Matlab . . . . . . . . . . 278--289
Marat Sibaev and
Deborah L. Crittenden PyVCI: a flexible open-source code for
calculating accurate molecular infrared
spectra . . . . . . . . . . . . . . . . 290--297
Maarten Hornikx and
Thomas Krijnen and
Louis van Harten openPSTD: the open source pseudospectral
time-domain method for acoustic
propagation . . . . . . . . . . . . . . 298--308
B. Thierry and
A. Vion and
S. Tournier and
M. El Bouajaji and
D. Colignon and
N. Marsic and
X. Antoine and
C. Geuzaine GetDDM: an open framework for testing
optimized Schwarz methods for
time-harmonic wave problems . . . . . . 309--330
Junqing Xu and
Calogero R. Natoli and
Peter Krüger and
Kuniko Hayakawa and
Didier Sébilleau and
Li Song and
Keisuke Hatada ES2MS: an interface package for passing
self-consistent charge density and
potential from Electronic Structure
codes To Multiple Scattering codes . . . 331--338
Christian Bogner MPL --- a program for computations with
iterated integrals on moduli spaces of
curves of genus zero . . . . . . . . . . 339--353
Andrew Ian Duff MEAMfit: a reference-free modified
embedded atom method (RF-MEAM) energy
and force-fitting code . . . . . . . . . 354--355
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Shingo Ito and
Stephan Irle and
Yuko Okamoto Implementation of replica-exchange
umbrella sampling in the DFTB+
semiempirical quantum chemistry package 1--10
Bernadett Ács and
Gábor Szederkényi and
Zsolt Tuza and
Zoltán A. Tuza Computing all possible graph structures
describing linearly conjugate
realizations of kinetic systems . . . . 11--20
Joshua A. Anderson and
M. Eric Irrgang and
Sharon C. Glotzer Scalable Metropolis Monte Carlo for
simulation of hard shapes . . . . . . . 21--30
Zoltán Erdélyi and
Mykola Pasichnyy and
Volodymyr Bezpalchuk and
János J. Tomán and
Bence Gajdics and
Andriy M. Gusak Stochastic kinetic mean field model . . 31--37
Jingbo Qin and
Quanlin Jie and
Zhuo Fan Implementing the density matrix
embedding theory with the hierarchical
mean-field approach . . . . . . . . . . 38--42
Magdalena Schreilechner and
Walter Pötz Real-space finite difference scheme for
the von Neumann equation with the Dirac
Hamiltonian . . . . . . . . . . . . . . 43--54
Miguel Cárdenas-Montes and
Juan José Rodríguez-Vázquez and
Miguel A. Vega-Rodríguez Bin recycling strategy for improving the
histogram precision on GPU . . . . . . . 55--63
C. Teijeiro and
T. Hammerschmidt and
R. Drautz and
G. Sutmann Efficient parallelization of analytic
bond-order potentials for large-scale
atomistic simulations . . . . . . . . . 64--73
Tao Zhao and
Feng-Nan Hwang and
Xiao-Chuan Cai Parallel two-level domain decomposition
based Jacobi--Davidson algorithms for
pyramidal quantum dot simulation . . . . 74--81
Wenlong Wang Simulating thermal boundary conditions
of spin-lattice models with weighted
averages . . . . . . . . . . . . . . . . 82--87
B. Militzer Computation of the high temperature
Coulomb density matrix in periodic
boundary conditions . . . . . . . . . . 88--96
David Salac A general, mass-preserving
Navier--Stokes projection method . . . . 97--106
F. Bülow and
P. Hamberger and
H. Nirschl and
W. Dörfler A scalable parallel Stokesian Dynamics
method for the simulation of colloidal
suspensions . . . . . . . . . . . . . . 107--120
V. N. Pomerantsev and
V. I. Kukulin and
O. A. Rubtsova and
S. K. Sakhiev Fast GPU-based calculations in few-body
quantum scattering . . . . . . . . . . . 121--131
Peng Zhang and
Na Zhang and
Chao Gao and
Li Zhang and
Yuxiang Gao and
Yuefan Deng and
Danny Bluestein Scalability test of multiscale
fluid--platelet model for three top
supercomputers . . . . . . . . . . . . . 132--140
M. Vranic and
J. L. Martins and
R. A. Fonseca and
L. O. Silva Classical radiation reaction in
particle-in-cell simulations . . . . . . 141--151
Jaewook Kim and
M. F. J. Fox and
A. R. Field and
Y. U. Nam and
Y.-C. Ghim Conditions for generating synthetic data
to investigate characteristics of
fluctuating quantities . . . . . . . . . 152--158
S. Meylan and
U. Vimont and
S. Incerti and
I. Clairand and
C. Villagrasa Geant4-DNA simulations using complex DNA
geometries generated by the DnaFabric
tool . . . . . . . . . . . . . . . . . . 159--169
Tao Zeng and
Nicholas Blinov and
Grégoire Guillon and
Hui Li and
Kevin P. Bishop and
Pierre-Nicholas Roy MoRiBS-PIMC: a program to simulate
molecular rotors in bosonic solvents
using path-integral Monte Carlo . . . . 170--188
A. V. Smirnov FIESTA4: Optimized Feynman integral
calculations with GPU support . . . . . 189--199
Markus Aichhorn and
Leonid Pourovskii and
Priyanka Seth and
Veronica Vildosola and
Manuel Zingl and
Oleg E. Peil and
Xiaoyu Deng and
Jernej Mravlje and
Gernot J. Kraberger and
Cyril Martins and
Michel Ferrero and
Olivier Parcollet TRIQS/DFTTools: a TRIQS application for
ab initio calculations of correlated
materials . . . . . . . . . . . . . . . 200--208
Luis E. Young-S. and
Dusan Vudragovi\'c and
Paulsamy Muruganandam and
Sadhan K. Adhikari and
Antun Balaz OpenMP Fortran and C programs for
solving the time-dependent
Gross--Pitaevskii equation in an
anisotropic trap . . . . . . . . . . . . 209--213
Kebo Zhang and
Hailing Xiong and
Chao Li A new version of code Java for $3$D
simulation of the CCA model . . . . . . 214--215
Jakub Benda and
Karel Houfek New version of hex-ecs, the B-spline
implementation of exterior complex
scaling method for solution of
electron--hydrogen scattering . . . . . 216--217
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Yue Wang and
Jianguo Wang and
Zaigao Chen and
Guoxin Cheng and
Pan Wang Three-dimensional simple conformal
symplectic particle-in-cell methods for
simulations of high power microwave
devices . . . . . . . . . . . . . . . . 1--12
E. Maras and
O. Trushin and
A. Stukowski and
T. Ala-Nissila and
H. Jónsson Global transition path search for
dislocation formation in Ge on Si(001) 13--21
Peng Wang and
Zhaoli Guo A semi-implicit gas-kinetic scheme for
smooth flows . . . . . . . . . . . . . . 22--31
Ioan Hadade and
Luca di Mare Modern multicore and manycore
architectures: Modelling, optimisation
and benchmarking a multiblock CFD code 32--47
Cristóbal A. Navarro and
Wei Huang and
Youjin Deng Adaptive multi-GPU Exchange Monte Carlo
for the $3$D Random Field Ising Model 48--60
Bernie D. Shizgal An efficient nonclassical quadrature for
the calculation of nonresonant nuclear
fusion reaction rate coefficients from
cross section data . . . . . . . . . . . 61--68
Ubaid Ahmed Nisar and
Waqas Ashraf and
Shamsul Qamar A splitting scheme based on the
space--time CE/SE method for solving
multi-dimensional hydrodynamical models
of semiconductor devices . . . . . . . . 69--86
Jinlian Ren and
Tao Jiang and
Weigang Lu and
Gang Li An improved parallel SPH approach to
solve $3$D transient generalized
Newtonian free surface flows . . . . . . 87--105
X. Gonze and
F. Jollet and
F. Abreu Araujo and
D. Adams and
B. Amadon and
T. Applencourt and
C. Audouze and
J.-M. Beuken and
J. Bieder and
A. Bokhanchuk and
E. Bousquet and
F. Bruneval and
D. Caliste and
M. Côté and
F. Dahm and
F. Da Pieve and
M. Delaveau and
M. Di Gennaro and
B. Dorado and
C. Espejo and
G. Geneste and
L. Genovese and
A. Gerossier and
M. Giantomassi and
Y. Gillet and
D. R. Hamann and
L. He and
G. Jomard and
J. Laflamme Janssen and
S. Le Roux and
A. Levitt and
A. Lherbier and
F. Liu and
I. Luka\vcevi\'c and
A. Martin and
C. Martins and
M. J. T. Oliveira and
S. Poncé and
Y. Pouillon and
T. Rangel and
G.-M. Rignanese and
A. H. Romero and
B. Rousseau and
O. Rubel and
A. A. Shukri and
M. Stankovski and
M. Torrent and
M. J. Van Setten and
B. Van Troeye and
M. J. Verstraete Recent developments in the ABINIT
software package . . . . . . . . . . . . 106--131
Isabelle Charpentier Optimized higher-order automatic
differentiation for the Faddeeva
function . . . . . . . . . . . . . . . . 132--137
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
N. S. Scott Editorial . . . . . . . . . . . . . . . 1
Ayham Zaza and
Abeeb A. Awotunde and
Faisal A. Fairag and
Mayez A. Al-Mouhamed A CUDA based parallel multi-phase oil
reservoir simulator . . . . . . . . . . 2--16
A. Bolis and
C. D. Cantwell and
D. Moxey and
D. Serson and
S. J. Sherwin An adaptable parallel algorithm for the
direct numerical simulation of
incompressible turbulent flows using a
Fourier spectral/$h p$ element method
and MPI virtual topologies . . . . . . . 17--25
Animesh Agarwal and
Luigi Delle Site Grand-Canonical Adaptive Resolution
Centroid Molecular Dynamics:
Implementation and application . . . . . 26--34
Anbang Sun and
Markus M. Becker and
Detlef Loffhagen PIC/MCC simulation of capacitively
coupled discharges: Effect of particle
management and integration . . . . . . . 35--44
N. F. Loureiro and
W. Dorland and
L. Fazendeiro and
A. Kanekar and
A. Mallet and
M. S. Vilelas and
A. Zocco Viriato: a Fourier--Hermite spectral
code for strongly magnetized
fluid--kinetic plasma dynamics . . . . . 45--63
Ilkka Kylänpää and
Esa Räsänen Extended Ewald summation technique . . . 64--68
Lukas Einkemmer A resistive magnetohydrodynamics solver
using modern C++ and the Boost library 69--77
Vladimir V. Bytev and
Bernd A. Kniehl HYPERDIRE --- HYPERgeometric functions
DIfferential REduction:
Mathematica-based packages for the
differential reduction of generalized
hypergeometric functions: Lauricella
function $ F_c $ of three variables . . 78--83
Bernd A. Kniehl and
Andrey F. Pikelner and
Oleg L. Veretin mr: a C++ library for the matching and
running of the Standard Model parameters 84--96
I. I. Gontchar and
M. V. Chushnyakova DFMSPH14: a C-code for the double
folding interaction potential of two
spherical nuclei . . . . . . . . . . . . 97--102
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Achim Guckenberger and
Marcel P. Schraml and
Paul G. Chen and
Marc Leonetti and
Stephan Gekle On the bending algorithms for soft
objects in flows . . . . . . . . . . . . 1--23
Adam J. Sierakowski GPU-centric resolved-particle disperse
two-phase flow simulation using the
Physalis method . . . . . . . . . . . . 24--34
V. Grandgirard and
J. Abiteboul and
J. Bigot and
T. Cartier-Michaud and
N. Crouseilles and
G. Dif-Pradalier and
Ch. Ehrlacher and
D. Esteve and
X. Garbet and
Ph. Ghendrih and
G. Latu and
M. Mehrenberger and
C. Norscini and
Ch. Passeron and
F. Rozar and
Y. Sarazin and
E. Sonnendrücker and
A. Strugarek and
D. Zarzoso A $5$D gyrokinetic full-$f$ global
semi-Lagrangian code for flux-driven ion
turbulence simulations . . . . . . . . . 35--68
F. Hariri and
T. M. Tran and
A. Jocksch and
E. Lanti and
J. Progsch and
P. Messmer and
S. Brunner and
C. Gheller and
L. Villard A portable platform for accelerated PIC
codes and its application to GPUs using
OpenACC . . . . . . . . . . . . . . . . 69--82
Andreas Adelmann and
Uldis Locans and
Andreas Suter The Dynamic Kernel Scheduler --- Part 1 83--90
Hidekatsu Nemura Instructive discussion of an effective
block algorithm for baryon--baryon
correlators . . . . . . . . . . . . . . 91--104
Baruch Feldman and
Yunkai Zhou A partitioned shift-without-invert
algorithm to improve parallel
eigensolution efficiency in real-space
electronic transport . . . . . . . . . . 105--113
Xisheng Luo and
Luying Wang and
Wei Ran and
Fenghua Qin GPU accelerated cell-based adaptive mesh
refinement on unstructured quadrilateral
grid . . . . . . . . . . . . . . . . . . 114--122
C.-K. Huang and
Y. Zeng and
Y. Wang and
M. D. Meyers and
S. Yi and
B. J. Albright Finite grid instability and spectral
fidelity of the electrostatic
Particle-In-Cell algorithm . . . . . . . 123--135
Anant Dixit and
M. Alouani Ab initio calculations of X-ray magnetic
circular dichroism spectra within the
projector augmented wave method: an
implementation into the VASP code . . . 136--144
E. Lorin and
X. Yang Frozen Gaussian approximation-based
two-level methods for multi-frequency
Schrödinger equation . . . . . . . . . . 145--159
Daniel Rohe Hierarchical parallelisation of
functional renormalisation group
calculations --- hp-fRG . . . . . . . . 160--169
T. Jourdan and
G. Stoltz and
F. Legoll and
L. Monasse An accurate scheme to solve cluster
dynamics equations using a
Fokker--Planck approach . . . . . . . . 170--178
M. Yu. Trofimov and
A. D. Zakharenko and
S. B. Kozitskiy Mode Gaussian beam tracing . . . . . . . 179--185
Shi Qiu and
Kuang Liu and
Veronica Eliasson Parallel implementation of geometrical
shock dynamics for two dimensional
converging shock waves . . . . . . . . . 186--192
N. Mohankumar and
A. Natarajan On the very accurate numerical
evaluation of the Generalized
Fermi--Dirac Integrals . . . . . . . . . 193--201
T. Dytrych and
P. Maris and
K. D. Launey and
J. P. Draayer and
J. P. Vary and
D. Langr and
E. Saule and
M. A. Caprio and
U. Catalyurek and
M. Sosonkina Efficacy of the SU(3) scheme for ab
initio large-scale calculations beyond
the lightest nuclei . . . . . . . . . . 202--210
Juan Chen and
Jianguo Wang Three-dimensional dispersive hybrid
implicit-explicit finite-difference
time-domain method for simulations of
graphene . . . . . . . . . . . . . . . . 211--216
Hiroshi Tsukahara and
Kaoru Iwano and
Chiharu Mitsumata and
Tadashi Ishikawa and
Kanta Ono Implementation of low communication
frequency $3$D FFT algorithm for
ultra-large-scale micromagnetics
simulation . . . . . . . . . . . . . . . 217--220
Tsung-Ming Huang and
Wen-Wei Lin and
Weichung Wang A hybrid Jacobi--Davidson method for
interior cluster eigenvalues with large
null-space in three dimensional lossless
Drude dispersive metallic photonic
crystals . . . . . . . . . . . . . . . . 221--231
Matthew P. Kroonblawd and
Nithin Mathew and
Shan Jiang and
Thomas D. Sewell A generalized crystal-cutting method for
modeling arbitrarily oriented crystals
in $3$D periodic simulation cells with
applications to crystal--crystal
interfaces . . . . . . . . . . . . . . . 232--242
Michele Tuttafesta and
Giuseppe Pascazio and
Gianpiero Colonna Multi-GPU unsteady $2$D flow simulation
coupled with a state-to-state chemical
kinetics . . . . . . . . . . . . . . . . 243--257
Tony W. H. Sheu and
Y. W. Chung and
J. H. Li and
Y. C. Wang Development of an explicit non-staggered
scheme for solving three-dimensional
Maxwell's equations . . . . . . . . . . 258--273
T. Siro and
A. Harju Exact diagonalization of quantum lattice
models on coprocessors . . . . . . . . . 274--281
S. V. Kasilov and
A. M. Runov and
W. Kernbichler Geometric integrator for charged
particle orbits in axisymmetric fusion
devices . . . . . . . . . . . . . . . . 282--286
Ren-Chuen Chen and
Chun-Hsien Li and
Jinn-Liang Liu A posteriori error control in numerical
simulations of semiconductor nanodevices 287--297
Ryan Varley ExoData: a Python package to handle
large exoplanet catalogue data . . . . . 298--309
Alireza Khorshidi and
Andrew A. Peterson Amp: a modular approach to machine
learning in atomistic simulations . . . 310--324
P. R. L. Alves and
L. G. S. Duarte and
L. A. C. P. da Mota Improvement in global forecast for
chaotic time series . . . . . . . . . . 325--340
T. Hahn Concurrent Cuba . . . . . . . . . . . . 341--349
Pui-Wai Ma and
S. L. Dudarev and
C. H. Woo SPILADY: a parallel CPU and GPU code for
spin-lattice magnetic molecular dynamics
simulations . . . . . . . . . . . . . . 350--361
C. H. J. Eckert and
E. Zenker and
M. Bussmann and
D. Albach HASEonGPU --- an adaptive, load-balanced
MPI/GPU-code for calculating the
amplified spontaneous emission in high
power laser media . . . . . . . . . . . 362--374
Derek Groen and
Agastya P. Bhati and
James Suter and
James Hetherington and
Stefan J. Zasada and
Peter V. Coveney FabSim: Facilitating computational
research through automation on
large-scale and distributed
e-infrastructures . . . . . . . . . . . 375--385
Rolf Kappl SOLARPROP: Charge-sign dependent solar
modulation for everyone . . . . . . . . 386--399
Federico Municchi and
Christoph Goniva and
Stefan Radl Highly efficient spatial data filtering
in parallel using the opensource library
CPPPO . . . . . . . . . . . . . . . . . 400--414
Peter Hakel FESTR: Finite-Element Spectral Transfer
of Radiation spectroscopic modeling and
analysis code . . . . . . . . . . . . . 415--425
Antonino Favata and
Andrea Micheletti and
Seunghwa Ryu and
Nicola M. Pugno An analytical benchmark and a
Mathematica program for MD codes:
Testing LAMMPS on the 2nd generation
Brenner potential . . . . . . . . . . . 426--431
Vladyslav Shtabovenko and
Rolf Mertig and
Frederik Orellana New developments in FeynCalc 9.0 . . . . 432--444
Jan W. Jaeken and
Stefaan Cottenier Solving the Christoffel equation: Phase
and group velocities . . . . . . . . . . 445--451
Volker Mosert and
Dieter Bauer Photoelectron spectra with Qprop and
t-SURFF . . . . . . . . . . . . . . . . 452--463
Nick A. Eaves and
Qingan Zhang and
Fengshan Liu and
Hongsheng Guo and
Seth B. Dworkin and
Murray J. Thomson CoFlame: a refined and validated
numerical algorithm for modeling sooting
laminar coflow diffusion flames . . . . 464--477
K. A. S. Croker ngravs: Distinct gravitational
interactions in \sc GADGET-2 . . . . . . 478--486
Jakub Checi\'nski and
Marek Frankowski MAGE (M-file/Mif Automatic GEnerator): a
graphical interface tool for automatic
generation of Object Oriented
Micromagnetic Framework configuration
files and Matlab scripts for results
analysis . . . . . . . . . . . . . . . . 487--498
L. J. Titus and
A. Ross and
F. M. Nunes Transfer reaction code with nonlocal
interactions . . . . . . . . . . . . . . 499--517
G. F. Bertsch and
J. M. Mehlhaff A finite-temperature Hartree--Fock code
for shell-model Hamiltonians . . . . . . 518--523
T. Atay and
M. Kaplan and
Y. Kilic and
N. Karapinar A-Track: a new approach for detection of
moving objects in FITS images . . . . . 524--530
T. Loke and
J. B. Wang OptQC v1.3: an (updated) optimized
parallel quantum compiler . . . . . . . 531--532
David A. Bonhommeau MCMC$^2$ (version 1.1.2): a Monte Carlo
code for multiply charged clusters . . . 533--535
Andrzej Daniluk RHEED intensities from two-dimensional
heteroepitaxial nanoscale systems of GaN
on a Si surface . . . . . . . . . . . . 536--538
P. R. L. Alves and
L. G. S. Duarte and
L. A. C. P. da Mota A new method for improved global mapping
forecast . . . . . . . . . . . . . . . . 539--541
L. G. S. Duarte and
L. A. C. P. da Mota and
E. Nunez Finding first order differential
invariants through the $S$-function . . 542--544
Boris Tomásik DRoplet and hAdron generator for nuclear
collisions: an update . . . . . . . . . 545--546
Kebo Zhang and
Junsen Zuo and
Yifeng Dou and
Chao Li and
Hailing Xiong Version 3.0 of code Java for $3$D
simulation of the CCA model . . . . . . 547--548
Camelia Muñoz-Caro and
Alfonso Niño and
Sebastián Reyes and
Miriam Castillo APINetworks Java. A Java approach to the
efficient treatment of large-scale
complex networks . . . . . . . . . . . . 549--552
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
T. Rangel and
D. Caliste and
L. Genovese and
M. Torrent A wavelet-based Projector Augmented-Wave
(PAW) method: Reaching frozen-core
all-electron precision with a
systematic, adaptive and localized
wavelet basis set . . . . . . . . . . . 1--8
Szilárd Majorosi and
Attila Czirják Fourth order real space solver for the
time-dependent Schrödinger equation with
singular Coulomb potential . . . . . . . 9--28
R. Bakx and
R. H. P. Kleiss and
F. Versteegen First- and second-order error estimates
in Monte Carlo integration . . . . . . . 29--34
R. Aaij and
S. Amato and
L. Anderlini and
S. Benson and
M. Cattaneo and
M. Clemencic and
B. Couturier and
M. Frank and
V. V. Gligorov and
T. Head and
C. Jones and
I. Komarov and
O. Lupton and
R. Matev and
G. Raven and
B. Sciascia and
T. Skwarnicki and
P. Spradlin and
S. Stahl and
B. Storaci and
M. Vesterinen and
others Tesla: an application for real-time data
analysis in High Energy Physics . . . . 35--42
Marco Berardi and
Andrea Andrisani and
Luciano Lopez and
Michele Vurro A new data assimilation technique based
on ensemble Kalman filter and Brownian
bridges: an application to Richards'
equation . . . . . . . . . . . . . . . . 43--53
Marc Durand and
Etienne Guesnet An efficient Cellular Potts Model
algorithm that forbids cell
fragmentation . . . . . . . . . . . . . 54--63
Tian-E Fan and
Gui-Fang Shao and
Qing-Shuang Ji and
Ji-Wen Zheng and
Tun-dong Liu and
Yu-Hua Wen A multi-populations multi-strategies
differential evolution algorithm for
structural optimization of metal
nanoclusters . . . . . . . . . . . . . . 64--72
Souvik Chakraborty and
Rajib Chowdhury Modelling uncertainty in incompressible
flow simulation using Galerkin based
generalized ANOVA . . . . . . . . . . . 73--91
P. Deuar A tractable prescription for large-scale
free flight expansion of wavefunctions 92--102
Casey E. Berger and
Joaquín E. Drut and
William J. Porter Hard-wall and non-uniform lattice Monte
Carlo approaches to one-dimensional
Fermi gases in a harmonic trap . . . . . 103--108
G. A. Nemnes and
Alexandra Palici and
A. Manolescu Transparent boundary conditions for
time-dependent electron transport in the
$R$-matrix method with applications to
nanostructured interfaces . . . . . . . 109--116
Mitsuru Honda and
Atsushi Fukuyama Development of the fluid-type transport
code on the flux coordinates in a
tokamak . . . . . . . . . . . . . . . . 117--134
Matthias Puhr and
Pavel Buividovich A numerical method to compute
derivatives of functions of large
complex matrices and its application to
the overlap Dirac operator at finite
chemical potential . . . . . . . . . . . 135--148
Fabien Bruneval and
Tonatiuh Rangel and
Samia M. Hamed and
Meiyue Shao and
Chao Yang and
Jeffrey B. Neaton molgw 1: Many-body perturbation theory
software for atoms, molecules, and
clusters . . . . . . . . . . . . . . . . 149--161
K. Pachucki and
M. Zientkiewicz and
V. A. Yerokhin H2SOLV: Fortran solver for diatomic
molecules in explicitly correlated
exponential basis . . . . . . . . . . . 162--168
Bernd A. Berg Corrigendum to ``Least square fitting
with one explicit parameter less''
[Comput. Phys. Comm. 200 (2016)
254--258] . . . . . . . . . . . . . . . 169
Anonymous Inside front cover . . . . . . . . . . . ifc--ifc
Zhe Ji and
Fei Xu and
Akiyuki Takahashi and
Yu Sun Large scale water entry simulation with
smoothed particle hydrodynamics on
single- and multi-GPU systems . . . . . 1--12
Nicolas Crouseilles and
Lukas Einkemmer and
Erwan Faou An asymptotic preserving scheme for the
relativistic Vlasov--Maxwell equations
in the classical limit . . . . . . . . . 13--26
Yu-Hsin Hsieh and
Chi-Ning Chen and
Chin-Kun Hu Efficient algorithm for computing exact
partition functions of lattice polymer
models . . . . . . . . . . . . . . . . . 27--33
Lisha Si and
Xiaoyun Liao and
Nengji Zhou Large-scale Monte Carlo simulations for
the depinning transition in Ising-type
lattice models . . . . . . . . . . . . . 34--41
Hans De Raedt and
Kristel Michielsen and
Karl Hess The digital computer as a metaphor for
the perfect laboratory experiment:
Loophole-free Bell experiments . . . . . 42--47
L. Gr. Ixaru Numerical approach of some three-body
problems . . . . . . . . . . . . . . . . 48--57
R. F. Zhang and
S. H. Zhang and
Z. J. He and
J. Jing and
S. H. Sheng Miedema Calculator: a thermodynamic
platform for predicting formation
enthalpies of alloys within framework of
Miedema's Theory . . . . . . . . . . . . 58--69
A. Lamas Daviña and
E. Ramos and
J. E. Roman Optimized analysis of isotropic
high-nuclearity spin clusters with GPU
acceleration . . . . . . . . . . . . . . 70--78
Hoon Ryu and
Yosang Jeong and
Ji-Hoon Kang and
Kyu Nam Cho Time-efficient simulations of
tight-binding electronic structures with
Intel Xeon Phi$^{TM}$ many-core
processors . . . . . . . . . . . . . . . 79--87
J. C. S. Rocha and
L. A. S. Mól and
B. V. Costa Using zeros of the canonical partition
function map to detect signatures of a
Berezinskii--Kosterlitz--Thouless
transition . . . . . . . . . . . . . . . 88--91
J. K. Dewhurst and
K. Krieger and
S. Sharma and
E. K. U. Gross An efficient algorithm for time
propagation as applied to linearized
augmented plane wave method . . . . . . 92--95
M. Beneke and
Y. Kiyo and
A. Maier and
J. Piclum Near-threshold production of heavy
quarks with QQbar\_threshold . . . . . . 96--115
S. Poncé and
E. R. Margine and
C. Verdi and
F. Giustino EPW: Electron-phonon coupling, transport
and superconducting properties using
maximally localized Wannier functions 116--133
Stefano Carrazza and
R. Keith Ellis and
Giulia Zanderighi QCDLoop: a comprehensive framework for
one-loop scalar integrals . . . . . . . 134--143
Guillaume Vergez and
Ionut Danaila and
Sylvain Auliac and
Frédéric Hecht A finite-element toolbox for the
stationary Gross--Pitaevskii equation
with rotation . . . . . . . . . . . . . 144--162
Craig Warren and
Antonios Giannopoulos and
Iraklis Giannakis gprMax: Open source software to simulate
electromagnetic wave propagation for
Ground Penetrating Radar . . . . . . . . 163--170
N. J. S. Loft and
L. B. Kristensen and
A. E. Thomsen and
A. G. Volosniev and
N. T. Zinner CONAN --- The cruncher of local exchange
coefficients for strongly interacting
confined systems in one dimension . . . 171--182
Ioannis G. Tsoulos and
Alexandros Tzallas and
Dimitris Tsalikakis PDoublePop: an implementation of
parallel genetic algorithm for function
optimization . . . . . . . . . . . . . . 183--189
Vladimir Loncar and
Luis E. Young-S. and
Srdjan Skrbi\'c and
Paulsamy Muruganandam and
Sadhan K. Adhikari and
Antun Balaz OpenMP, OpenMP/MPI, and CUDA/MPI C
programs for solving the time-dependent
dipolar Gross--Pitaevskii equation . . . 190--196
Zhong-Li Liu and
Qian-Ku Hu and
Hai-Yan Wang and
Xiao-Feng Li Phasego 3.0: Automatic analysis of
synthesis and decomposition conditions
for compounds . . . . . . . . . . . . . 197--198
I. M. Sitnik The new version of the FUMILIM
minimization package . . . . . . . . . . 199
Ashton S. Reimer and
Alexei F. Cheviakov Corrigendum to: ``A Matlab-based finite
difference solver for the Poisson
problem with mixed Dirichlet--Neumann
boundary conditions'' [Comput. Phys.
Comm. 184(3) (2013) 783--798] . . . . . 200--201
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Chao Wang and
Håkan Nilsson and
Jiandong Yang and
Olivier Petit $1$D--$3$D coupling for hydraulic system
transient simulations . . . . . . . . . 1--9
Fardin Rouzbahani and
Kazem Hejranfar A truly incompressible smoothed particle
hydrodynamics based on artificial
compressibility method . . . . . . . . . 10--28
Martin Ferrand and
Antoine Joly and
Christophe Kassiotis and
Damien Violeau and
Agn\`es Leroy and
François-Xavier Morel and
Benedict D. Rogers Unsteady open boundaries for SPH using
semi-analytical conditions and Riemann
solver in $2$D . . . . . . . . . . . . . 29--44
Ilkka Ruokosenmäki and
Hossein Gholizade and
Ilkka Kylänpää and
Tapio T. Rantala Numerical path integral solution to
strong Coulomb correlation in one
dimensional Hooke's atom . . . . . . . . 45--53
J. T. Childers and
T. D. Uram and
T. J. LeCompte and
M. E. Papka and
D. P. Benjamin Adapting the serial Alpgen
parton-interaction generator to simulate
LHC collisions on millions of parallel
threads . . . . . . . . . . . . . . . . 54--59
C. L. Stork and
C. C. Ummel and
D. S. Stuart and
S. Bodily and
B. L. Goldblum Dynamic analysis environment for nuclear
forensic analyses . . . . . . . . . . . 60--71
I. K. Gainullin High-performance GPU parallel solver for
$3$D modeling of electron transfer
during ion-surface interaction . . . . . 72--78
Fabio Bacchini and
Vyacheslav Olshevsky and
Stefaan Poedts and
Giovanni Lapenta A new Particle-in-Cell method for
modeling magnetized fluids . . . . . . . 79--91
A. Jablonski Multiple elastic scattering of electrons
in condensed matter . . . . . . . . . . 92--102
Joshua P. Ellis Ti$k$Z-Feynman: Feynman diagrams with
Ti$k$Z . . . . . . . . . . . . . . . . . 103--123
Amparo Gil and
Javier Segura and
Nico M. Temme Efficient computation of Laguerre
polynomials . . . . . . . . . . . . . . 124--131
Haoyu S. Yu and
Lucas J. Fiedler and
I. M. Alecu and
Donald G. Truhlar Computational thermochemistry: Automated
generation of scale factors for
vibrational frequencies calculated by
electronic structure model chemistries 132--138
Fawei Zheng and
Ping Zhang Phonon Unfolding: a program for
unfolding phonon dispersions of
materials . . . . . . . . . . . . . . . 139--144
H. Vincenti and
M. Lobet and
R. Lehe and
R. Sasanka and
J.-L. Vay An efficient and portable SIMD algorithm
for charge/current deposition in
Particle-In-Cell codes . . . . . . . . . 145--154
M. A. Chilenski and
I. C. Faust and
J. R. Walk eqtools: Modular, extensible,
open-source, cross-machine Python tools
for working with magnetic equilibria . . 155--162
Pilar Cossio and
David Rohr and
Fabio Baruffa and
Markus Rampp and
Volker Lindenstruth and
Gerhard Hummer BioEM: GPU-accelerated computing of
Bayesian inference of electron
microscopy images . . . . . . . . . . . 163--171
Alexey E. Nazarov and
Roman G. Fedunov and
Anatoly I. Ivanov Principals of simulation of ultrafast
charge transfer in solution within the
multichannel stochastic point-transition
model . . . . . . . . . . . . . . . . . 172--180
Yongsheng Fu and
Jiaolong Zeng and
Jianmin Yuan PCTDSE: a parallel Cartesian-grid-based
TDSE solver for modeling laser-atom
interactions . . . . . . . . . . . . . . 181--192
S.-P. Fu and
Z. Peng and
H. Yuan and
R. Kfoury and
Y. -N. Young Lennard-Jones type pair-potential method
for coarse-grained lipid bilayer
membrane simulations in LAMMPS . . . . . 193--203
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Jue Wang and
Fei Gao and
Jose Luis Vazquez-Poletti and
Jianjiang Li High performance computing for advanced
modeling and simulation of materials . . 1
Markus Eisenbach and
Jeff Larkin and
Justin Lutjens and
Steven Rennich and
James H. Rogers GPU acceleration of the Locally
Selfconsistent Multiple Scattering code
for first principles calculation of the
ground state and statistical physics of
materials . . . . . . . . . . . . . . . 2--7
Weile Jia and
Jue Wang and
Xuebin Chi and
Lin-Wang Wang GPU implementation of the linear scaling
three dimensional fragment method for
large scale electronic structure
calculations . . . . . . . . . . . . . . 8--15
Jilin Zhang and
Chaoqun Sha and
Yusen Wu and
Jian Wan and
Li Zhou and
Yongjian Ren and
Huayou Si and
Yuyu Yin and
Ya Jing The novel implicit LU--SGS parallel
iterative method based on the diffusion
equation of a nuclear reactor on a GPU
cluster . . . . . . . . . . . . . . . . 16--22
José M. Cecilia and
A. M. Hernández-Díaz and
Pedro Castrillo and
J. F. Jiménez-Alonso Enhanced calculation of eigen-stress
field and elastic energy in atomistic
interdiffusion of alloys . . . . . . . . 23--30
Changjun Hu and
Xianmeng Wang and
Jianjiang Li and
Xinfu He and
Shigang Li and
Yangde Feng and
Shaofeng Yang and
He Bai Kernel optimization for short-range
molecular dynamics . . . . . . . . . . . 31--40
Guocai Lv and
Yanjing Su Molecular dynamics simulation and first
principles calculations of
radiation-induced Cu clusters in Fe-3
at.% Cu alloy . . . . . . . . . . . . . 41--44
Yang Cao and
Chun Liu and
Yuehui Huang and
Tieqiang Wang and
Chenjun Sun and
Yue Yuan and
Xinsong Zhang and
Shuyun Wu Parallel algorithms for islanded
microgrid with photovoltaic and energy
storage systems planning optimization
problem: Material selection and quantity
demand optimization . . . . . . . . . . 45--53
Xingyu Gao and
Zeyao Mo and
Jun Fang and
Haifeng Song and
Han Wang Parallel $3$-dim fast Fourier transforms
with load balancing of the plane waves 54--60
Edoardo Di Napoli and
Elmar Peise and
Markus Hrywniak and
Paolo Bientinesi High-performance generation of the
Hamiltonian and Overlap matrices in
FLAPW methods . . . . . . . . . . . . . 61--72
Changjun Hu and
He Bai and
Xinfu He and
Boyao Zhang and
Ningming Nie and
Xianmeng Wang and
Yingwen Ren Crystal MD: the massively parallel
molecular dynamics software for metal
with BCC structure . . . . . . . . . . . 73--78
Weipeng Jing and
Danyu Tong and
Yangang Wang and
Jingyuan Wang and
Yaqiu Liu and
Peng Zhao MaMR: High-performance MapReduce
programming model for material cloud
applications . . . . . . . . . . . . . . 79--87
J. L. Vázquez-Poletti and
R. Moreno-Vozmediano and
R. Han and
W. Wang and
I. M. Llorente SaaS enabled admission control for MCMC
simulation in cloud computing
infrastructures . . . . . . . . . . . . 88--97
Xiaoming Zhang and
Xin Liu and
Xin Li and
Dongyu Pan MMKG: an approach to generate metallic
materials knowledge graph based on
DBpedia and Wikipedia . . . . . . . . . 98--112
Baodong Wu and
Shigang Li and
Yunquan Zhang and
Ningming Nie Hybrid-optimization strategy for the
communication of large-scale Kinetic
Monte Carlo simulation . . . . . . . . . 113--123
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Juha Javanainen The Software Atom . . . . . . . . . . . 1--7
Nick Papior and
Nicolás Lorente and
Thomas Frederiksen and
Alberto García and
Mads Brandbyge Improvements on non-equilibrium and
transport Green function techniques: the
next-generation transiesta . . . . . . . 8--24
Simon Kiesewetter and
Peter D. Drummond Algorithms for integration of stochastic
differential equations using parallel
optimized sampling in the Stratonovich
calculus . . . . . . . . . . . . . . . . 25--38
Ben F. McMillan A partially mesh-free scheme for
representing anisotropic spatial
variations along field lines . . . . . . 39--46
Alexander I. Kozynchenko and
Sergey A. Kozynchenko About improving efficiency of the $ P^3
M $ algorithms when computing the
inter-particle forces in beam dynamics 47--54
A. W. Bray and
I. B. Abdurakhmanov and
A. S. Kadyrov and
D. V. Fursa and
I. Bray Solving close-coupling equations in
momentum space without singularities for
charged targets . . . . . . . . . . . . 55--58
J. Leddy and
B. Dudson and
M. Romanelli and
B. Shanahan and
N. Walkden A novel flexible field-aligned
coordinate system for tokamak edge
plasma simulation . . . . . . . . . . . 59--68
Maja Buljan and
Marko Karlusi\'c and
Nikolina Neki\'c and
Marko Jercinovi\'c and
Iva Bogdanovi\'c-Radovi\'c and
Sigrid Bernstorff and
Nikola Radi\'c and
Igor Mekterovi\'c GISAXS analysis of ion beam modified
films and surfaces . . . . . . . . . . . 69--81
Xinmin Ge and
Hua Chen and
Yiren Fan and
Juntao Liu and
Jianchao Cai and
Jianyu Liu An improved pulse sequence and inversion
algorithm of $ T_2 $ spectrum . . . . . 82--89
Alain Marx and
Hinrich Lütjens Hybrid parallelization of the XTOR-2F
code for the simulation of two-fluid MHD
instabilities in tokamaks . . . . . . . 90--99
S. J. Eder and
D. Bianchi and
U. Cihak-Bayr and
K. Gkagkas Methods for atomistic abrasion
simulations of laterally periodic
polycrystalline substrates with fractal
surfaces . . . . . . . . . . . . . . . . 100--112
Trung Dac Nguyen GPU-accelerated Tersoff potentials for
massively parallel Molecular Dynamics
simulations . . . . . . . . . . . . . . 113--122
F. A. Volpe and
P.-D. Létourneau and
A. Zhao Huygens--Fresnel wavefront tracing . . . 123--131
Asaf Farhi and
Bipin Singh A novel method for calculating relative
free energy of similar molecules in two
environments . . . . . . . . . . . . . . 132--145
Wenjie Jin and
J. Ruud van Ommen and
Chris R. Kleijn A new cut-cell algorithm for DSMC
simulations of rarefied gas flows around
immersed moving objects . . . . . . . . 146--151
Thomas Kjærgaard and
Pablo Baudin and
Dmytro Bykov and
Janus Juul Eriksen and
Patrick Ettenhuber and
Kasper Kristensen and
Jeff Larkin and
Dmitry Liakh and
Filip Pawlowski and
Aaron Vose and
Yang Min Wang and
Poul Jòrgensen Massively parallel and linear-scaling
algorithm for second-order
Mòller--Plesset perturbation theory
applied to the study of supramolecular
wires . . . . . . . . . . . . . . . . . 152--160
Åsmund Ervik and
Guadalupe Jiménez Serratos and
Erich A. Müller raaSAFT: a framework enabling
coarse-grained molecular dynamics
simulations based on the SAFT-$ \gamma $
Mie force field . . . . . . . . . . . . 161--179
Andreas Hehn and
Natalija van Well and
Matthias Troyer High-temperature series expansion for
spin-$ 1 / 2 $ Heisenberg models . . . . 180--188
Swarnava Ghosh and
Phanish Suryanarayana SPARC: Accurate and efficient
finite-difference formulation and
parallel implementation of Density
Functional Theory: Isolated clusters . . 189--204
Valerio Bertone and
Stefano Carrazza and
Nathan P. Hartland APFELgrid: a high performance tool for
parton density determinations . . . . . 205--209
A. Foerster and
H. A. M. Leymann and
J. Wiersig Computer-aided cluster expansion: an
efficient algebraic approach for open
quantum many-particle systems . . . . . 210--219
Ansgar Denner and
Stefan Dittmaier and
Lars Hofer Collier: a Fortran-based complex
one-loop library in extended
regularizations . . . . . . . . . . . . 220--238
Robert V. Harlander and
Stefan Liebler and
Hendrik Mantler SusHi Bento: Beyond NNLO and the
heavy-top limit . . . . . . . . . . . . 239--257
Spencer R. Klein and
Joakim Nystrand and
Janet Seger and
Yuri Gorbunov and
Joey Butterworth STARlight: a Monte Carlo simulation
program for ultra-peripheral collisions
of relativistic ions . . . . . . . . . . 258--268
A. Stahl and
M. Landreman and
O. Embréus and
T. Fülöp NORSE: a solver for the relativistic
non-linear Fokker--Planck equation for
electrons in a homogeneous plasma . . . 269--279
L. Sarkadi A Fortran program to calculate the
matrix elements of the Coulomb
interaction involving hydrogenic wave
functions . . . . . . . . . . . . . . . 280--282
L. Sarkadi Calculation of the matrix elements of
the Coulomb interaction involving
relativistic hydrogenic wave functions 283--284
M. M. Rashidi Corrigendum to ``The modified
differential transform method for
solving MHD boundary-layer equations''
[Comput. Phys. Comm. \bf 180 (2009)
2210--2217] . . . . . . . . . . . . . . 285
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
M. Pfeiffer and
M. H. Gorji Adaptive particle-cell algorithm for
Fokker--Planck based rarefied gas flow
simulations . . . . . . . . . . . . . . 1--8
Peter Hill and
Brendan Shanahan and
Ben Dudson Dirichlet boundary conditions for
arbitrary-shaped boundaries in
stellarator-like magnetic fields for the
Flux-Coordinate Independent method . . . 9--18
M. Bernaschi and
M. Lulli and
M. Sbragaglia GPU based detection of topological
changes in Voronoi diagrams . . . . . . 19--28
Leslie M. Kerby An energy-dependent numerical model for
the condensation probability, $ \gamma_j
$ . . . . . . . . . . . . . . . . . . . 29--39
Pengyue Gao and
Qunchao Tong and
Jian Lv and
Yanchao Wang and
Yanming Ma X-ray diffraction data-assisted
structure searches . . . . . . . . . . . 40--45
Jakub Benda and
Karel Houfek Reducing the dimensionality of grid
based methods for electron-atom
scattering calculations below ionization
threshold . . . . . . . . . . . . . . . 46--51
Shaolin Liu and
Dinghui Yang and
Chao Lang and
Wenshuai Wang and
Zhide Pan Modified symplectic schemes with
nearly-analytic discrete operators for
acoustic wave simulations . . . . . . . 52--63
Hakan Basagaoglu and
John R. Harwell and
Hoa Nguyen and
Sauro Succi Enhanced computational performance of
the lattice Boltzmann model for
simulating micron- and submicron-size
particle flows and non-Newtonian fluid
flows . . . . . . . . . . . . . . . . . 64--71
Hemanadhan Myneni and
Mark E. Casida On the calculation of $ \Delta (\hat
{S}^2) $ for electronic excitations in
time-dependent density-functional theory 72--91
Hakan Basagaoglu and
Justin Blount and
Jarred Blount and
Bryant Nelson and
Sauro Succi and
Phil M. Westhart and
John R. Harwell Computational performance of SequenceL
coding of the lattice Boltzmann method
for multi-particle flow simulations . . 92--99
J. Lichtenstein and
D. Sánchez de la Peña and
D. Rohe and
E. Di Napoli and
C. Honerkamp and
S. A. Maier High-performance functional
Renormalization Group calculations for
interacting fermions . . . . . . . . . . 100--110
Andreas Stegmeir and
Omar Maj and
David Coster and
Karl Lackner and
Markus Held and
Matthias Wiesenberger Advances in the flux-coordinate
independent approach . . . . . . . . . . 111--121
Zhong-Li Liu and
Rui Li and
Xiu-Lu Zhang and
Nuo Qu and
Ling-Cang Cai Direct anharmonic correction method by
molecular dynamics . . . . . . . . . . . 122--129
Thomas Deppisch E6Tensors: a Mathematica package for $
E_6 $ Tensors . . . . . . . . . . . . . 130--135
B. K. Mani and
S. Chattopadhyay and
D. Angom RCCPAC: a parallel relativistic
coupled-cluster program for closed-shell
and one-valence atoms and ions in
FORTRAN . . . . . . . . . . . . . . . . 136--154
Lianhua Zhu and
Songze Chen and
Zhaoli Guo dugksFoam: an open source OpenFOAM
solver for the Boltzmann model equation 155--164
Daniel Winkler and
Michael Meister and
Massoud Rezavand and
Wolfgang Rauch gpuSPHASE --- A shared memory caching
implementation for $2$D SPH using CUDA 165--180
F. Lyonnet and
I. Schienbein PyR@TE 2: a Python tool for computing
RGEs at two-loop . . . . . . . . . . . . 181--196
Marco Caliari and
Simone Zuccher INFFTM: Fast evaluation of 3$D$ Fourier
series in MATLAB with an application to
quantum vortex reconnections . . . . . . 197--207
Patrick Avery and
Eva Zurek RandSpg: an open-source program for
generating atomistic crystal structures
with specific spacegroups . . . . . . . 208--216
Jason J. Maldonis and
Jinwoo Hwang and
Paul M. Voyles FEMSIM + HRMC: Simulation of and
structural refinement using fluctuation
electron microscopy for amorphous
materials . . . . . . . . . . . . . . . 217--222
Burkhard Schmidt and
Ulf Lorenz WavePacket: a Matlab package for
numerical quantum dynamics. I: Closed
quantum systems and discrete variable
representations . . . . . . . . . . . . 223--234
A. Gaenko and
A. E. Antipov and
G. Carcassi and
T. Chen and
X. Chen and
Q. Dong and
L. Gamper and
J. Gukelberger and
R. Igarashi and
S. Iskakov and
M. Könz and
J. P. F. LeBlanc and
R. Levy and
P. N. Ma and
J. E. Paki and
H. Shinaoka and
S. Todo and
M. Troyer and
E. Gull Updated core libraries of the ALPS
project . . . . . . . . . . . . . . . . 235--251
Xiaoyuan Huang and
Yue-Lin Sming Tsai and
Qiang Yuan LikeDM: Likelihood calculator of dark
matter detection . . . . . . . . . . . . 252--263
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
J. M. Park and
M. Murakami and
H. E. St. John and
L. L. Lao and
M. S. Chu and
R. Prater An efficient transport solver for
tokamak plasmas . . . . . . . . . . . . 1--5
Fei Li and
Peicheng Yu and
Xinlu Xu and
Frederico Fiuza and
Viktor K. Decyk and
Thamine Dalichaouch and
Asher Davidson and
Adam Tableman and
Weiming An and
Frank S. Tsung and
Ricardo A. Fonseca and
Wei Lu and
Warren B. Mori Controlling the numerical Cerenkov
instability in PIC simulations using a
customized finite difference Maxwell
solver and a local FFT based current
correction . . . . . . . . . . . . . . . 6--17
Fermín S. V. Bazán and
Luciano Bedin and
Leonardo S. Borges Space-dependent perfusion coefficient
estimation in a $2$D bioheat transfer
problem . . . . . . . . . . . . . . . . 18--30
Sebastián Ossandón and
Camilo Reyes and
Patricio Cumsille and
Carlos M. Reyes Neural network approach for the
calculation of potential coefficients in
quantum mechanics . . . . . . . . . . . 31--38
Emmi Tholerus and
Thomas Johnson and
Torbjörn Hellsten FOXTAIL: Modeling the nonlinear
interaction between Alfvén eigenmodes and
energetic particles in tokamaks . . . . 39--51
Taylor A. Barnes and
Thorsten Kurth and
Pierre Carrier and
Nathan Wichmann and
David Prendergast and
Paul R. C. Kent and
Jack Deslippe Improved treatment of exact exchange in
Quantum ESPRESSO . . . . . . . . . . . . 52--58
Mikhail M. Basko and
Ilia P. Tsygvintsev A hybrid model of laser energy
deposition for multi-dimensional
simulations of plasmas and metals . . . 59--70
Andrew V. Terekhov The Laguerre finite difference one-way
equation solver . . . . . . . . . . . . 71--82
P. Nogueira From Feynman rules to conserved quantum
numbers, I . . . . . . . . . . . . . . . 83--90
Thomas Hahn and
Sebastian Paßehr Implementation of the $ {\cal
O}(\alpha_t^2) $ MSSM Higgs-mass
corrections in FeynHiggs . . . . . . . . 91--97
Filip Novotný ParticleRecognition, a Mathematica GUI
interface for analysis of complex shaped
nanoparticles in micrographs . . . . . . 98--104
Parry Y. Chen and
Yonatan Sivan Robust location of optical fiber modes
via the argument principle method . . . 105--116
Ehsan Saei Ghareh Naz and
Matthew R. Jorgensen and
Oliver G. Schmidt Density of optical states in rolled-up
photonic crystals and quasi crystals . . 117--127
Pablo Piedrahita-Quintero and
Carlos Trujillo and
Jorge Garcia-Sucerquia JDiffraction: a GPGPU-accelerated JAVA
library for numerical propagation of
scalar wave fields . . . . . . . . . . . 128--139
Stefano Actis and
Ansgar Denner and
Lars Hofer and
Jean-Nicolas Lang and
Andreas Scharf and
Sandro Uccirati R E C O L L A --- REcursive Computation
of One-Loop Amplitudes . . . . . . . . . 140--173
Christian Stahl and
Jörg Leske and
Marc Lettmann and
Norbert Pietralla APCAD --- Analysis program for the
continuous-angle DSAM . . . . . . . . . 174--198
P. A. Sokolov and
M. V. Belousov and
S. A. Bondarev and
G. A. Zhouravleva and
N. A. Kasyanenko FibrilJ: ImageJ plugin for fibrils'
diameter and persistence length
determination . . . . . . . . . . . . . 199--206
Rafael López and
Jaime Fernández Rico and
Guillermo Ramírez and
Ignacio Ema and
David Zorrilla and
Anmol Kumar and
Sachin D. Yeole and
Shridhar R. Gadre Topology of molecular electron density
and electrostatic potential with DAMQT 207--215
Ahmed F. Al-Refaie and
Sergei N. Yurchenko and
Jonathan Tennyson \bf GPU \bf Accelerated \bf INtensities
MPI (GAIN-MPI): a new method of
computing Einstein-$A$ coefficients . . 216--224
Konstantin Ladutenko and
Umapada Pal and
Antonio Rivera and
Ovidio Peña-Rodríguez Mie calculation of electromagnetic
near-field for a multilayered sphere . . 225--230
M. Sprengel and
G. Ciaramella and
A. Borz\`\i A COKOSNUT code for the control of the
time-dependent Kohn--Sham model . . . . 231--238
G. A. Cowan and
D. C. Craik and
M. D. Needham RapidSim: an application for the fast
simulation of heavy-quark hadron decays 239--246
Christian Y. Cardall and
Reuben D. Budiardja GenASiS Basics: Object-oriented
utilitarian functionality for
large-scale physics simulations (Version
2) . . . . . . . . . . . . . . . . . . . 247--248
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
D. Gabay and
A. Boag and
A. Natan Optimizing kernel methods for Poisson
integrals on a uniform grid . . . . . . 1--6
Zongrui Pei and
Markus Eisenbach Acceleration of the Particle Swarm
Optimization for Peierls--Nabarro
modeling of dislocations in conventional
and high-entropy alloys . . . . . . . . 7--12
P. Nogueira From Feynman rules to conserved quantum
numbers, II . . . . . . . . . . . . . . 13--19
Christoph Junghans and
Animesh Agarwal and
Luigi Delle Site Computational efficiency and Amdahl's
law for the adaptive resolution
simulation technique . . . . . . . . . . 20--25
Honghui Shang and
Christian Carbogno and
Patrick Rinke and
Matthias Scheffler Lattice dynamics calculations based on
density-functional perturbation theory
in real space . . . . . . . . . . . . . 26--46
Alexander Kramida Configuration interactions of class 11:
an error in Cowan's atomic structure
theory . . . . . . . . . . . . . . . . . 47--48
D. Jarema and
H. J. Bungartz and
T. Görler and
F. Jenko and
T. Neckel and
D. Told Block-structured grids in full velocity
space for Eulerian gyrokinetic
simulations . . . . . . . . . . . . . . 49--62
Yongpin P. Chen and
Wei E. I. Sha and
Lijun Jiang and
Min Meng and
Yu Mao Wu and
Weng Cho Chew A unified Hamiltonian solution to
Maxwell--Schrödinger equations for
modeling electromagnetic field-particle
interaction . . . . . . . . . . . . . . 63--70
Uldis Locans and
Andreas Adelmann and
Andreas Suter and
Jannis Fischer and
Werner Lustermann and
Günther Dissertori and
Qiulin Wang Real-time computation of parameter
fitting and image reconstruction using
graphical processing units . . . . . . . 71--80
Jae-Min Kwon and
Lei Qi and
S. Yi and
T. S. Hahm ITG--TEM turbulence simulation with
bounce-averaged kinetic electrons in
tokamak geometry . . . . . . . . . . . . 81--90
Lei Zhang and
Jizeng Wang and
Xiaojing Liu and
Youhe Zhou A wavelet integral collocation method
for nonlinear boundary value problems in
physics . . . . . . . . . . . . . . . . 91--102
Liming Zhang and
Ali Deng and
Minghong Wang and
Xianzhu Meng The use of the edge basis function for
non-conformal solution of electric
current volume integral equation . . . . 103--112
Taylor Haar and
Waseem Kamleh and
James Zanotti and
Yoshifumi Nakamura Applying polynomial filtering to mass
preconditioned Hybrid Monte Carlo . . . 113--127
Hiroshi Shinaoka and
Emanuel Gull and
Philipp Werner Continuous-time hybridization expansion
quantum impurity solver for
multi-orbital systems with complex
hybridizations . . . . . . . . . . . . . 128--136
Duncan A. Little and
Jonathan Tennyson and
Martin Plummer and
Clifford J. Noble and
Andrew G. Sunderland TIMEDELn: a programme for the detection
and parametrization of overlapping
resonances using the time-delay method 137--148
Ryan Levy and
J. P. F. LeBlanc and
Emanuel Gull Implementation of the maximum entropy
method for analytic continuation . . . . 149--155
László Gyevi-Nagy and
Gyula Tasi SYVA: a program to analyze symmetry of
molecules based on vector algebra . . . 156--164
Rafael B. Frigori PHAST: Protein-like heteropolymer
analysis by statistical thermodynamics 165--172
Marvin Tegeler and
Oleg Shchyglo and
Reza Darvishi Kamachali and
Alexander Monas and
Ingo Steinbach and
Godehard Sutmann Parallel multiphase field simulations
with OpenPhase . . . . . . . . . . . . . 173--187
Kyle E. Niemeyer and
Nicholas J. Curtis and
Chih-Jen Sung pyJac: Analytical Jacobian generator for
chemical kinetics . . . . . . . . . . . 188--203
T. L. Underwood and
G. J. Ackland monteswitch: a package for evaluating
solid-solid free energy differences via
lattice-switch Monte Carlo . . . . . . . 204--222
D. N. R. Payne and
C. Vargas and
Z. Hameiri and
S. R. Wenham and
D. M. Bagnall An advanced software suite for the
processing and analysis of silicon
luminescence images . . . . . . . . . . 223--234
Enrico Piccinini and
Claudia Benedetti and
Ilaria Siloi and
Matteo G. A. Paris and
Paolo Bordone GPU-accelerated algorithms for
many-particle continuous-time quantum
walks . . . . . . . . . . . . . . . . . 235--245
Oksana Voronych and
Adam Buraczewski and
Michal Matuszewski and
Magdalena Stobi\'nska Numerical modeling of exciton-polariton
Bose--Einstein condensate in a
microcavity . . . . . . . . . . . . . . 246--258
D. Germanas and
A. Stepsys and
S. Mickevicius and
R. K. Kalinauskas HOTB update: Parallel code for
calculation of three- and four-particle
harmonic oscillator transformation
brackets and their matrices using OpenMP 259--264
P. R. L. Alves and
L. G. S. Duarte and
L. A. C. P. da Mota Alternative predictors in chaotic time
series . . . . . . . . . . . . . . . . . 265--268
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Simon Schneider and
Marco Mueller and
Wolfhard Janke Convergence of Stochastic Approximation
Monte Carlo and modified Wang--Landau
algorithms: Tests for the Ising model 1--7
Kevin Obrejan and
Kenji Imadera and
Jiquan Li and
Yasuaki Kishimoto Development of a new zonal flow equation
solver by diagonalisation and its
application in non-circular
cross-section tokamak plasmas . . . . . 8--17
Paul Mycek and
Andres Contreras and
Olivier Le Ma\^\itre and
Khachik Sargsyan and
Francesco Rizzi and
Karla Morris and
Cosmin Safta and
Bert Debusschere and
Omar Knio A resilient domain decomposition
polynomial chaos solver for uncertain
elliptic PDEs . . . . . . . . . . . . . 18--34
Roman Poya and
Antonio J. Gil and
Rogelio Ortigosa A high performance data parallel tensor
contraction framework: Application to
coupled electro-mechanics . . . . . . . 35--52
Sofya Titarenko and
Mark Hildyard Hybrid multicore/vectorisation technique
applied to the elastic wave equation on
a staggered grid . . . . . . . . . . . . 53--62
Vladislav V. Serov Orthogonal fast spherical Bessel
transform on uniform grid . . . . . . . 63--76
B. V. Costa and
L. A. S. Mól and
J. C. S. Rocha Energy probability distribution zeros: a
route to study phase transitions . . . . 77--83
Seunggyu Lee and
Yibao Li and
Jaemin Shin and
Junseok Kim Phase-field simulations of crystal
growth in a two-dimensional cavity flow 84--94
Yachong Guo and
Vladimir A. Baulin GPU implementation of the Rosenbluth
generation method for static Monte Carlo
simulations . . . . . . . . . . . . . . 95--101
Nikita Tretyakov and
Burkhard Dünweg An improved dissipative coupling scheme
for a system of Molecular Dynamics
particles interacting with a Lattice
Boltzmann fluid . . . . . . . . . . . . 102--108
Swarnava Ghosh and
Phanish Suryanarayana SPARC: Accurate and efficient
finite-difference formulation and
parallel implementation of Density
Functional Theory: Extended systems . . 109--125
D. B. Clark and
E. Godat and
F. I. Olness ManeParse: a Mathematica reader for
Parton Distribution Functions . . . . . 126--137
Ben Palmer and
Brian Connolly and
Mark Read Activity computer program for
calculating ion irradiation activation 138--144
N. Schunck and
J. Dobaczewski and
W. Satula and
P. Baczyk and
J. Dudek and
Y. Gao and
M. Konieczka and
K. Sato and
Y. Shi and
X. B. Wang and
T. R. Werner Solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations in the Cartesian deformed
harmonic-oscillator basis. (VIII) \tt
hfodd (v2.73y): a new version of the
program . . . . . . . . . . . . . . . . 145--174
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Adam Jones and
Sergey Utyuzhnikov Efficient computation of turbulent flow
in ribbed passages using a
non-overlapping near-wall domain
decomposition method . . . . . . . . . . 1--10
Johannes Pekkilä and
Miikka S. Väisälä and
Maarit J. Käpylä and
Petri J. Käpylä and
Omer Anjum Methods for compressible fluid
simulation on GPUs using high-order
finite differences . . . . . . . . . . . 11--22
Mehdi Dehghan and
Vahid Mohammadi A numerical scheme based on radial basis
function finite difference (RBF--FD)
technique for solving the
high-dimensional nonlinear Schrödinger
equations using an explicit time
discretization: Runge--Kutta method . . 23--34
Javier Moreno and
Álvaro Somolinos and
Gustavo Romero and
Iván González and
Felipe Cátedra Speed-up of the volumetric method of
moments for the approximate RCS of large
arbitrary-shaped dielectric targets . . 35--42
Blaise Faugeras and
Jacques Blum and
Holger Heumann and
Cédric Boulbe Optimal control of a coupled partial and
ordinary differential equations system
for the assimilation of polarimetry
Stokes vector measurements in tokamak
free-boundary equilibrium reconstruction
with application to ITER . . . . . . . . 43--57
Ana Arnal and
Fernando Casas and
Cristina Chiralt On the structure and convergence of the
symmetric Zassenhaus formula . . . . . . 58--65
G. Fourey and
C. Hermange and
D. Le Touzé and
G. Oger An efficient FSI coupling strategy
between Smoothed Particle Hydrodynamics
and Finite Element methods . . . . . . . 66--81
Vladislav S. Yakovlev and
Michael S. Wismer Adiabatic corrections for velocity-gauge
simulations of electron dynamics in
periodic potentials . . . . . . . . . . 82--88
Roberto Rodríguez-Fernández and
Francisco B. Pereira and
Jorge M. C. Marques and
Emilio Martínez-Núñez and
Saulo A. Vázquez GAFit: a general-purpose, user-friendly
program for fitting potential energy
surfaces . . . . . . . . . . . . . . . . 89--98
Marcin M. Lo\'s and
Maciej Wo\'zniak and
Maciej Paszy\'nski and
Andrew Lenharth and
Muhamm Amber Hassaan and
Keshav Pingali IGA--ADS: Isogeometric analysis FEM
using ADS solver . . . . . . . . . . . . 99--116
Sasan Tavakkol and
Patrick Lynett Celeris: a GPU-accelerated open source
software with a Boussinesq-type wave
solver for real-time interactive
simulation and visualization . . . . . . 117--127
Marcin Sylwestrzak and
Daniel Szlag and
Paul J. Marchand and
Ashwin S. Kumar and
Theo Lasser Massively parallel data processing for
quantitative total flow imaging with
optical coherence microscopy and
tomography . . . . . . . . . . . . . . . 128--137
M. Karimi and
H. Droghetti and
D. L. Marchisio PUFoam: a novel open-source CFD solver
for the simulation of polyurethane foams 138--148
S. Schmieschek and
L. Shamardin and
S. Frijters and
T. Krüger and
U. D. Schiller and
J. Harting and
P. V. Coveney LB3D: a parallel implementation of the
Lattice-Boltzmann method for simulation
of interacting amphiphilic fluids . . . 149--161
Peter E. Falloon and
Jeremy Rodriguez and
Jingbo B. Wang QSWalk: a Mathematica package for
quantum stochastic walks on arbitrary
graphs . . . . . . . . . . . . . . . . . 162--170
Ansel L. Blumers and
Yu-Hang Tang and
Zhen Li and
Xuejin Li and
George E. Karniadakis GPU-accelerated red blood cells
simulations with transport dissipative
particle dynamics . . . . . . . . . . . 171--179
Mitsuaki Kawamura and
Kazuyoshi Yoshimi and
Takahiro Misawa and
Youhei Yamaji and
Synge Todo and
Naoki Kawashima Quantum lattice model solver $ H \Phi $ 180--192
T. M. Dunster and
A. Gil and
J. Segura and
N. M. Temme Conical: an extended module for
computing a numerically satisfactory
pair of solutions of the differential
equation for conical functions . . . . . 193--197
Vicente Sánchez-Gil and
Eva G. Noya and
Enrique Lomba NRMC --- A GPU code for $N$-Reverse
Monte Carlo modeling of fluids in
confined media . . . . . . . . . . . . . 198--203
Toni Giorgino and
Alessandro Laio and
Alex Rodriguez METAGUI 3: a graphical user interface
for choosing the collective variables in
molecular dynamics simulations . . . . . 204--209
Patrick Avery and
Zackary Falls and
Eva Zurek XtalOpt Version r10: an open-source
evolutionary algorithm for crystal
structure prediction . . . . . . . . . . 210--211
Daniel Muñoz-Santiburcio and
Alfonso Hernández-Laguna AWESoMe 1.1: a code for the calculation
of phase and group velocities of
acoustic waves in homogeneous solids . . 212--214
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Christoph Slaby and
Ralf Kleiber and
Axel Könies Combining electromagnetic gyro-kinetic
particle-in-cell simulations with
collisions . . . . . . . . . . . . . . . 1--9
Zheyong Fan and
Wei Chen and
Ville Vierimaa and
Ari Harju Efficient molecular dynamics simulations
with many-body potentials on graphics
processing units . . . . . . . . . . . . 10--16
T. Kittelmann and
E. Klinkby and
E. B. Knudsen and
P. Willendrup and
X. X. Cai and
K. Kanaki Monte Carlo Particle Lists: MCPL . . . . 17--42
K. Muraleedhara Varier and
V. Sankar and
M. P. Gangadathan TrackEtching --- A Java based code for
etched track profile calculations in
SSNTDs . . . . . . . . . . . . . . . . . 43--47
Vladyslav Shtabovenko FeynHelpers: Connecting FeynCalc to FIRE
and Package-X . . . . . . . . . . . . . 48--65
Hiren H. Patel Package-X 2.0: a Mathematica package for
the analytic calculation of one-loop
integrals . . . . . . . . . . . . . . . 66--70
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Q. Z. Lv and
S. Norris and
R. Pelphrey and
Q. Su and
R. Grobe Computation of diverging sums based on a
finite number of terms . . . . . . . . . 1--10
Laurent Karim Béland and
Artur Tamm and
Sai Mu and
German D. Samolyuk and
Yuri N. Osetsky and
Alvo Aabloo and
Mattias Klintenberg and
Alfredo Caro and
Roger E. Stoller Accurate classical short-range forces
for the study of collision cascades in
Fe--Ni--Cr . . . . . . . . . . . . . . . 11--19
Yuezheng Gong and
Jia Zhao and
Qi Wang An energy stable algorithm for a
quasi-incompressible hydrodynamic
phase-field model of viscous fluid
mixtures with variable densities and
viscosities . . . . . . . . . . . . . . 20--34
Zhanghui Chen and
Weile Jia and
Xiangwei Jiang and
Shu-Shen Li and
Lin-Wang Wang SGO: a fast engine for ab initio atomic
structure global optimization by
differential evolution . . . . . . . . . 35--44
P. X. Yu and
Z. F. Tian and
A. Y. Ying and
M. A. Abdou Stream function-velocity-magnetic
induction compact difference method for
the $2$D steady incompressible full
magnetohydrodynamic equations . . . . . 45--69
Xavier Antoine and
Christophe Besse and
Romain Duboscq and
Vittorio Rispoli Acceleration of the imaginary time
method for spectrally computing the
stationary states of Gross--Pitaevskii
equations . . . . . . . . . . . . . . . 70--78
Bailu Yan and
Zheng Zhao and
Yingcheng Zhou and
Wenyan Yuan and
Jian Li and
Jun Wu and
Daojian Cheng A particle swarm optimization algorithm
with random learning mechanism and Levy
flight for optimization of atomic
clusters . . . . . . . . . . . . . . . . 79--86
D. C. Hall Sampling random directions within an
elliptical cone . . . . . . . . . . . . 87--90
Andrea Bussone and
Michele Della Morte and
Martin Hansen and
Claudio Pica On reweighting for twisted boundary
conditions . . . . . . . . . . . . . . . 91--98
Liang Li and
Stéphane Lanteri and
N. Asger Mortensen and
Martijn Wubs A hybridizable discontinuous Galerkin
method for solving nonlocal optical
response models . . . . . . . . . . . . 99--107
Manuel J. Castro and
José M. Gallardo and
Antonio Marquina Jacobian-free approximate solvers for
hyperbolic systems: Application to
relativistic magnetohydrodynamics . . . 108--120
Bahram Haddadi and
Christian Jordan and
Michael Harasek Cost efficient CFD simulations: Proper
selection of domain partitioning
strategies . . . . . . . . . . . . . . . 121--134
Mikito Furuichi and
Daisuke Nishiura Iterative load-balancing method with
multigrid level relaxation for particle
simulation with short-range interactions 135--148
Thomas Danielson and
Jonathan E. Sutton and
Céline Hin and
Aditya Savara SQERTSS: Dynamic rank based throttling
of transition probabilities in kinetic
Monte Carlo simulations . . . . . . . . 149--163
Fabrice Deluzet and
Maurizio Ottaviani and
Stefan Possanner A Drift-Asymptotic scheme for a fluid
description of plasmas in strong
magnetic fields . . . . . . . . . . . . 164--177
Francesco Bonelli and
Michele Tuttafesta and
Gianpiero Colonna and
Luigi Cutrone and
Giuseppe Pascazio An MPI--CUDA approach for hypersonic
flows with detailed state-to-state air
kinetics using a GPU cluster . . . . . . 178--195
Chris M. Mangiardi and
R. Meyer A hybrid algorithm for parallel
molecular dynamics simulations . . . . . 196--208
L. F. Gutiérrez Marcantoni and
J. Tamagno and
S. Elaskar rhoCentralRfFoam: an OpenFOAM solver for
high speed chemically active flows ---
Simulation of planar detonations . . . . 209--222
Qinglin Tang and
Yong Zhang and
Norbert J. Mauser A robust and efficient numerical method
to compute the dynamics of the rotating
two-component dipolar Bose--Einstein
condensates . . . . . . . . . . . . . . 223--235
Vakhtang Makarashvili and
Elia Merzari and
Aleksandr Obabko and
Andrew Siegel and
Paul Fischer A performance analysis of ensemble
averaging for high fidelity turbulence
simulations at the strong scaling limit 236--245
Hye Suk Byun and
Mohamed Y. El-Naggar and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta A derivation and scalable implementation
of the synchronous parallel kinetic
Monte Carlo method for simulating
long-time dynamics . . . . . . . . . . . 246--254
Ji Qiang A fast parallel $3$D Poisson solver with
longitudinal periodic and transverse
open boundary conditions for
space-charge simulations . . . . . . . . 255--260
V. Aslanyan and
A. G. Aslanyan and
G. J. Tallents Efficient calculation of degenerate
atomic rates by numerical quadrature on
GPUs . . . . . . . . . . . . . . . . . . 261--268
G. Bart and
C. Peltz and
N. Bigaouette and
T. Fennel and
T. Brabec and
C. Varin Massively parallel microscopic
particle-in-cell . . . . . . . . . . . . 269--285
I. Halliday and
S. V. Lishchuk and
T. J. Spencer and
K. Burgin and
T. Schenkel Interfacial micro-currents in
continuum-scale multi-component lattice
Boltzmann equation hydrodynamics . . . . 286--296
Deuk-Chul Kwon and
Sung-Sik Shin and
Dong-Hun Yu A parallelization method for time
periodic steady state in simulation of
radio frequency sheath dynamics . . . . 297--302
Wesley Cota and
Silvio C. Ferreira Optimized Gillespie algorithms for the
simulation of Markovian epidemic
processes on large and heterogeneous
networks . . . . . . . . . . . . . . . . 303--312
M. P. Clay and
D. Buaria and
T. Gotoh and
P. K. Yeung A dual communicator and dual
grid-resolution algorithm for petascale
simulations of turbulent mixing at high
Schmidt number . . . . . . . . . . . . . 313--328
Oleksandr Gituliar and
Vitaly Magerya Fuchsia: a tool for reducing
differential equations for Feynman
master integrals to epsilon form . . . . 329--338
B. C. Allanach and
Stephen P. Martin and
David G. Robertson and
Roberto Ruiz de Austri The inclusion of two-loop SUSYQCD
corrections to gluino and squark pole
masses in the minimal and
next-to-minimal supersymmetric standard
model: SOFTSUSY3.7 . . . . . . . . . . . 339--345
Anton K. Cyrol and
Mario Mitter and
Nils Strodthoff FormTracer: A Mathematica tracing
package using FORM . . . . . . . . . . . 346--352
Tobias Frust and
Michael Wagner and
Jan Stephan and
Guido Juckeland and
André Bieberle Rapid data processing for ultrafast
X-ray computed tomography using scalable
and modular CUDA based pipelines . . . . 353--360
Mario Prausa epsilon: a tool to find a canonical
basis of master integrals . . . . . . . 361--376
Tobias Eilert and
Maximilian Beckers and
Florian Drechsler and
Jens Michaelis Fast-NPS --- A Markov Chain Monte
Carlo-based analysis tool to obtain
structural information from
single-molecule FRET measurements . . . 377--389
Hanqing Zhang and
Tim Stangner and
Krister Wiklund and
Alvaro Rodriguez and
Magnus Andersson UmUTracker: a versatile MATLAB program
for automated particle tracking of $2$D
light microscopy or $3$D digital
holography data . . . . . . . . . . . . 390--399
Daniel M. Sussman cellGPU: Massively parallel simulations
of dynamic vertex models . . . . . . . . 400--406
A. L. Kutepov and
V. S. Oudovenko and
G. Kotliar Linearized self-consistent quasiparticle
GW method: Application to semiconductors
and simple metals . . . . . . . . . . . 407--414
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Richard C. Brower and
Harmut Neff and
Kostas Orginos The Möbius domain wall fermion algorithm 1--19
I. Mosyagin and
A. V. Lugovskoy and
O. M. Krasilnikov and
Yu. Kh. Vekilov and
S. I. Simak and
I. A. Abrikosov Ab initio calculations of
pressure-dependence of high-order
elastic constants using finite
deformations approach . . . . . . . . . 20--30
P. Bigay and
G. Oger and
P.-M. Guilcher and
D. Le Touzé A weakly-compressible Cartesian grid
approach for hydrodynamic flows . . . . 31--43
Kristel Michielsen and
Madita Nocon and
Dennis Willsch and
Fengping Jin and
Thomas Lippert and
Hans De Raedt Benchmarking gate-based quantum
computers . . . . . . . . . . . . . . . 44--55
Alexei F. Cheviakov Symbolic computation of equivalence
transformations and parameter reduction
for nonlinear physical models . . . . . 56--73
Stefan Schnabel and
Wolfhard Janke Dynamic greedy algorithms for the
Edwards--Anderson model . . . . . . . . 74--80
Thorsteinn H. Jonsson and
Andrei Manolescu and
Hsi-Sheng Goan and
Nzar Rauf Abdullah and
Anna Sitek and
Chi-Shung Tang and
Vidar Gudmundsson Efficient determination of the Markovian
time-evolution towards a steady-state of
a complex open quantum system . . . . . 81--90
S. V. Chekanov and
I. Pogrebnyak and
D. Wilbern Cross-platform validation and analysis
environment for particle physics . . . . 91--96
Abdou Abdel-Rehim and
Constantia Alexandrou and
Joshua Berlin and
Mattia Dalla Brida and
Jacob Finkenrath and
Marc Wagner Investigating efficient methods for
computing four-quark correlation
functions . . . . . . . . . . . . . . . 97--121
Wanyok Atisattapong and
Pasin Marupanthorn A $ 1 / t $ algorithm with the density
of two states for estimating
multidimensional integrals . . . . . . . 122--128
H. Kohno and
J. R. Myra A finite element procedure for
radio-frequency sheath-plasma
interactions based on a sheath impedance
model . . . . . . . . . . . . . . . . . 129--142
Tsung-Wen Yen and
Thong-Leng Lim and
Tiem-Leong Yoon and
S. K. Lai Studying the varied shapes of gold
clusters by an elegant optimization
algorithm that hybridizes the density
functional tight-binding theory and the
density functional theory . . . . . . . 143--149
X. Antoine and
E. Lorin Computational performance of simple and
efficient sequential and parallel Dirac
equation solvers . . . . . . . . . . . . 150--172
Charlotte Boukandou-Mombo and
Hassan Bakrim and
Jonathan Claustre and
Joëlle Margot and
Jean-Pierre Matte and
François Vidal New fast accurately conservative scheme
for solving numerically the
time-dependent isotropic Fokker--Planck
equation . . . . . . . . . . . . . . . . 173--180
Zi He and
Ru-Shan Chen Frequency-domain and time-domain solvers
of parabolic equation for rotationally
symmetric geometries . . . . . . . . . . 181--187
Willem Deconinck and
Peter Bauer and
Michail Diamantakis and
Mats Hamrud and
Christian Kühnlein and
Pedro Maciel and
Gianmarco Mengaldo and
Tiago Quintino and
Baudouin Raoult and
Piotr K. Smolarkiewicz and
Nils P. Wedi Atlas: a library for numerical weather
prediction and climate modelling . . . . 188--204
Jeffrey Kelling and
Géza Ódor and
Sibylle Gemming Suppressing correlations in massively
parallel simulations of lattice models 205--211
Yulei Wang and
Jian Liu and
Hong Qin and
Zhi Yu and
Yicun Yao The accurate particle tracer code . . . 212--229
Ferenc Karsai and
Fabien Tran and
Peter Blaha On the importance of local orbitals
using second energy derivatives for $d$
and $f$ electrons . . . . . . . . . . . 230--238
Takashi Koretsune and
Ryotaro Arita Efficient method to calculate the
electron-phonon coupling constant and
superconducting transition temperature 239--242
Sergio Blanes and
Fernando Casas and
Mechthild Thalhammer High-order commutator-free quasi-Magnus
exponential integrators for
non-autonomous linear evolution
equations . . . . . . . . . . . . . . . 243--262
Ronaldo Rodrigues Pela and
Andris Gulans and
Claudia Draxl The LDA-1/2 method implemented in the
exciting code . . . . . . . . . . . . . 263--268
A. Mirza and
P. Nizenkov and
M. Pfeiffer and
S. Fasoulas Three-dimensional implementation of the
Low Diffusion method for continuum flow
simulations . . . . . . . . . . . . . . 269--278
A. Bierwage and
Y. Todo Benchmark of multi-phase method for the
computation of fast ion distributions in
a tokamak plasma in the presence of
low-amplitude resonant MHD activity . . 279--284
Akinobu Matsuyama and
Masaru Furukawa High-order integration scheme for
relativistic charged particle motion in
magnetized plasmas with volume
preserving properties . . . . . . . . . 285--296
Francesco Fambri and
Michael Dumbser and
Olindo Zanotti Space-time adaptive ADER--DG schemes for
dissipative flows: Compressible
Navier--Stokes and resistive MHD
equations . . . . . . . . . . . . . . . 297--318
N. Sibali\'c and
J. D. Pritchard and
C. S. Adams and
K. J. Weatherill ARC: an open-source library for
calculating properties of alkali Rydberg
atoms . . . . . . . . . . . . . . . . . 319--331
Jared L. Aurentz and
Vassilis Kalantzis and
Yousef Saad Cucheb: a GPU implementation of the
filtered Lanczos procedure . . . . . . . 332--340
Lev Yu. Barash and
Martin Weigel and
Michal Borovský and
Wolfhard Janke and
Lev N. Shchur GPU accelerated population annealing
algorithm . . . . . . . . . . . . . . . 341--350
Jesús Carrete and
Bjorn Vermeersch and
Ankita Katre and
Ambroise van Roekeghem and
Tao Wang and
Georg K. H. Madsen and
Natalio Mingo almaBTE: a solver of the space-time
dependent Boltzmann transport equation
for phonons in structured materials . . 351--362
R. Navarro Perez and
N. Schunck and
R.-D. Lasseri and
C. Zhang and
J. Sarich Axially deformed solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations using the transformed harmonic
oscillator basis (III) \tt hfbtho
(v3.00): a new version of the program 363--375
Sheng-Chun Yang and
Zhong-Yuan Lu and
Hu-Jun Qian and
Yong-Lei Wang and
Jie-Ping Han A hybrid parallel architecture for
electrostatic interactions in the
simulation of dissipative particle
dynamics . . . . . . . . . . . . . . . . 376--389
Philipp Neumann and
Xin Bian MaMiCo: Transient multi-instance
molecular-continuum flow simulation on
supercomputers . . . . . . . . . . . . . 390--402
S. H. Zhang and
R. F. Zhang AELAS: Automatic ELAStic property
derivations via high-throughput
first-principles computation . . . . . . 403--416
B. C. Allanach and
T. Cridge The calculation of sparticle and Higgs
decays in the minimal and
next-to-minimal supersymmetric standard
models: SOFTSUSY4.0 . . . . . . . . . . 417--502
Luis E. Young-S. and
Paulsamy Muruganandam and
Sadhan K. Adhikari and
Vladimir Loncar and
Dusan Vudragovi\'c and
Antun Balaz OpenMP GNU and Intel Fortran programs
for solving the time-dependent
Gross--Pitaevskii equation . . . . . . . 503--506
A. Butykai and
P. Domínguez-García and
F. M. Mor and
R. Gaál and
L. Forró and
S. Jeney PFMCal: Photonic force microscopy
calibration extended for its application
in high-frequency microrheology . . . . 507--508
Patrick Avery and
Eva Zurek Corrigendum to ``RandSpg: an open-source
program for generating atomistic crystal
structures with specific spacegroups''
[Comput. Phys. Comm. \bf 213 (2017)
208--216] . . . . . . . . . . . . . . . 509--509
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
C. H. Yu and
Tony W. H. Sheu Development of a coupled level set and
immersed boundary method for predicting
dam break flows . . . . . . . . . . . . 1--18
D. Samaddar and
D. P. Coster and
X. Bonnin and
C. Bergmeister and
E. Havlí\vcková and
L. A. Berry and
W. R. Elwasif and
D. B. Batchelor Temporal parallelization of edge plasma
simulations using the parareal algorithm
and the SOLPS code . . . . . . . . . . . 19--27
Lorena Lozano and
Ma Jesús Algar and
Eliseo García and
Iván González and
Felipe Cátedra Efficient combination of acceleration
techniques applied to high frequency
methods for solving radiation and
scattering problems . . . . . . . . . . 28--41
Eugene Vecharynski and
Jiri Brabec and
Meiyue Shao and
Niranjan Govind and
Chao Yang Efficient block preconditioned
eigensolvers for linear response
time-dependent density functional theory 42--52
Ahmed F. Al-Refaie and
Jonathan Tennyson A parallel algorithm for Hamiltonian
matrix construction in electron-molecule
collision calculations: MPI--SCATCI . . 53--62
Lin Fu and
Xiangyu Y. Hu and
Nikolaus A. Adams Single-step reinitialization and
extending algorithms for level-set based
multi-phase flow simulations . . . . . . 63--80
K. D. Makwana and
R. Keppens and
G. Lapenta Two-way coupling of magnetohydrodynamic
simulations with embedded
particle-in-cell simulations . . . . . . 81--94
D. Gabay and
X. Wang and
V. Lomakin and
A. Boag and
M. Jain and
A. Natan Size dependent electronic properties of
silicon quantum dots --- an analysis
with hybrid, screened hybrid and local
density functional theory . . . . . . . 95--101
Junseok Kim and
Hyun Geun Lee A new conservative vector-valued
Allen--Cahn equation and its fast
numerical method . . . . . . . . . . . . 102--108
Toshio Fukushima Numerical computation of electromagnetic
field for general static and
axisymmetric current distribution . . . 109--117
L. Calderín and
V. V. Karasiev and
S. B. Trickey Kubo--Greenwood electrical conductivity
formulation and implementation for
projector augmented wave datasets . . . 118--142
Min-Gu Yoo and
Jeongwon Lee and
Young-Gi Kim and
Yong-Su Na Development of $2$D implicit particle
simulation code for ohmic breakdown
physics in a tokamak . . . . . . . . . . 143--159
Francis P. Russell and
Peter D. Düben and
Xinyu Niu and
Wayne Luk and
T. N. Palmer Exploiting the chaotic behaviour of
atmospheric models with reconfigurable
architectures . . . . . . . . . . . . . 160--173
Alexander Humeniuk and
Roland Mitri\'c DFTBaby: a software package for
non-adiabatic molecular dynamics
simulations based on long-range
corrected tight-binding TD-DFT(B) . . . 174--202
Alessandro Georgoudis and
Kasper J. Larsen and
Yang Zhang Azurite: an algebraic geometry based
package for finding bases of loop
integrals . . . . . . . . . . . . . . . 203--215
R. J. Chen and
M. Wang and
X. L. Yan and
Q. Yang and
Y. H. Lam and
L. Yang and
Y. H. Zhang A parallelization scheme of the periodic
signals tracking algorithm for
isochronous mass spectrometry on GPUs 216--220
Abel Carreras and
Atsushi Togo and
Isao Tanaka DynaPhoPy: a code for extracting phonon
quasiparticles from molecular dynamics
simulations . . . . . . . . . . . . . . 221--234
Tal Kachman and
Shmuel Fishman and
Avy Soffer Numerical implementation of the
multiscale and averaging methods for
quasi periodic systems . . . . . . . . . 235--245
D. Buaria and
P. K. Yeung A highly scalable particle tracking
algorithm using partitioned global
address space (PGAS) programming for
extreme-scale turbulence simulations . . 246--258
Huabin Shi and
Xiping Yu and
Robert A. Dalrymple Development of a two-phase SPH model for
sediment laden flows . . . . . . . . . . 259--272
Matthew Stein A fast, parallel algorithm for
distant-dependent calculation of crystal
properties . . . . . . . . . . . . . . . 273--281
Mohammad Javadi and
Yaser Abdi Kinetic Monte Carlo simulation of
single-electron multiple-trapping
transport in disordered media . . . . . 282--289
N. Mai-Duy and
N. Phan-Thien and
T. Tran-Cong Imposition of physical parameters in
dissipative particle dynamics . . . . . 290--298
Alexei Sibidanov A revision of the subtract-with-borrow
random number generators . . . . . . . . 299--303
J. H. Noble and
M. Lubasch and
J. Stevens and
U. D. Jentschura Diagonalization of complex symmetric
matrices: Generalized Householder
reflections, iterative deflation and
implicit shifts . . . . . . . . . . . . 304--316
Gediminas Kirsanskas and
Jonas Nyvold Pedersen and
Olov Karlström and
Martin Leijnse and
Andreas Wacker QmeQ 1.0: an open-source Python package
for calculations of transport through
quantum dot devices . . . . . . . . . . 317--342
Gábor Rutkai and
Andreas Köster and
Gabriela Guevara-Carrion and
Tatjana Janzen and
Michael Schappals and
Colin W. Glass and
Martin Bernreuther and
Amer Wafai and
Simon Stephan and
Maximilian Kohns and
Steffen Reiser and
Stephan Deublein and
Martin Horsch and
Hans Hasse and
Jadran Vrabec ms2: a molecular simulation tool for
thermodynamic properties, release 3.0 343--351
Lukas Exl A GPU accelerated and error-controlled
solver for the unbounded Poisson
equation in three dimensions . . . . . . 352--357
Xujing Li and
Leonid E. Zakharov Equilibrium Spline Interface (ESI) for
magnetic confinement codes . . . . . . . 358--382
Daniel Dercks and
Nishita Desai and
Jong Soo Kim and
Krzysztof Rolbiecki and
Jamie Tattersall and
Torsten Weber CheckMATE 2: From the model to the limit 383--418
Andrzej Daniluk RHEED intensities from two-dimensional
heteroepitaxial nanoscale systems of GaN
on a 3C--SiC(111) surface . . . . . . . 419--420
Prithish Halder and
Himadri Sekhar Das JaSTA-2: Second version of the Java
Superposition T-matrix Application . . . 421--422
Li Huang \em iQIST v0.7: an open source
continuous-time quantum Monte Carlo
impurity solver toolkit . . . . . . . . 423--424
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
Meiyue Shao and
H. Metin Aktulga and
Chao Yang and
Esmond G. Ng and
Pieter Maris and
James P. Vary Accelerating nuclear configuration
interaction calculations through a
preconditioned block iterative
eigensolver . . . . . . . . . . . . . . 1--13
Valerio D'Alessandro and
Lorenzo Binci and
Sergio Montelpare and
Renato Ricci On the development of OpenFOAM solvers
based on explicit and implicit
high-order Runge--Kutta schemes for
incompressible flows with heat transfer 14--30
Alireza Javidi Shirvan and
Isabelle Choquet and
Håkan Nilsson and
Hrvoje Jasak Coupling boundary condition for
high-intensity electric arc attached on
a non-homogeneous refractory cathode . . 31--45
M. Caliari and
S. Zuccher Reliability of the time splitting
Fourier method for singular solutions in
quantum fluids . . . . . . . . . . . . . 46--58
Chenglong Zhang and
Mingcan Zhao and
Chaofeng Hou and
Wei Ge A multilevel-skin neighbor list
algorithm for molecular dynamics
simulation . . . . . . . . . . . . . . . 59--69
Charles Varin and
Rhys Emms and
Graeme Bart and
Thomas Fennel and
Thomas Brabec Explicit formulation of second and third
order optical nonlinearity in the FDTD
framework . . . . . . . . . . . . . . . 70--83
Songsong Ji and
Yibo Yang and
Gang Pang and
Xavier Antoine Accurate artificial boundary conditions
for the semi-discretized linear
Schrödinger and heat equations on
rectangular domains . . . . . . . . . . 84--93
Luigi Delle Site Grand Canonical adaptive resolution
simulation for molecules with electrons:
a theoretical framework based on
physical consistency . . . . . . . . . . 94--101
Peng Zhang and
Hyunsuk Lee and
Deokjung Lee On the Transfer Matrix of the Modified
Power Method . . . . . . . . . . . . . . 102--112
Jonatan Núñez-de la Rosa and
Claus-Dieter Munz Hybrid DG/FV schemes for
magnetohydrodynamics and relativistic
hydrodynamics . . . . . . . . . . . . . 113--135
Nicolas Crouseilles and
Sever A. Hirstoaga and
Xiaofei Zhao Multiscale Particle-in-Cell methods and
comparisons for the long-time
two-dimensional Vlasov--Poisson equation
with strong magnetic field . . . . . . . 136--151
Maribel Núñez-Valdez and
Zahed Allahyari and
Tao Fan and
Artem R. Oganov Efficient technique for computational
design of thermoelectric materials . . . 152--157
Miguel Cárdenas-Montes and
Ignacio Sevilla-Noarbe Voronoi Tessellation for reducing the
processing time of correlation functions 158--166
Neil Christensen Diagonalizing the Hamiltonian of $
\lambda \phi^4 $ theory in 2 space-time
dimensions . . . . . . . . . . . . . . . 167--188
Bruno B. M. Kassar and
João N. E. Carneiro and
Angela O. Nieckele Curvature computation in volume-of-fluid
method based on point-cloud sampling . . 189--208
Ulrich Hohenester Making simulations with the MNPBEM
toolbox big: Hierarchical matrices and
iterative solvers . . . . . . . . . . . 209--228
Z. R. Liu and
R. F. Zhang AACSD: an atomistic analyzer for crystal
structure and defects . . . . . . . . . 229--239
Manuel J. Rodrigues and
David E. Fernandes and
Mário G. Silveirinha and
Gabriel Falcão Simulating electron wave dynamics in
graphene superlattices exploiting
parallel processing advantages . . . . . 240--249
Kasper J. Larsen and
Robbert Rietkerk MultivariateResidues: a Mathematica
package for computing multivariate
residues . . . . . . . . . . . . . . . . 250--262
J. M. Verbeke and
J. Randrup and
R. Vogt Fission Reaction Event Yield Algorithm
FREYA 2.0.2 . . . . . . . . . . . . . . 263--266
Victor Wen-zhe Yu and
Fabiano Corsetti and
Alberto García and
William P. Huhn and
Mathias Jacquelin and
Weile Jia and
Björn Lange and
Lin Lin and
Jianfeng Lu and
Wenhui Mi and
Ali Seifitokaldani and
Álvaro Vázquez-Mayagoitia and
Chao Yang and
Haizhao Yang and
Volker Blum ELSI: a unified software interface for
Kohn--Sham electronic structure solvers 267--285
W. Gins and
R. P. de Groote and
M. L. Bissell and
C. Granados Buitrago and
R. Ferrer and
K. M. Lynch and
G. Neyens and
S. Sels Analysis of counting data: Development
of the SATLAS Python package . . . . . . 286--294
Christoph Meyer Algorithmic transformation of multi-loop
master integrals to a canonical basis
with CANONICA . . . . . . . . . . . . . 295--312
S. Borowka and
G. Heinrich and
S. Jahn and
S. P. Jones and
M. Kerner and
J. Schlenk and
T. Zirke pySecDec: a toolbox for the numerical
evaluation of multi-scale integrals . . 313--326
D. Barducci and
G. Bélanger and
J. Bernon and
F. Boudjema and
J. Da Silva and
S. Kraml and
U. Laa and
A. Pukhov Collider limits on new physics within
micrOMEGAs\_4.3 . . . . . . . . . . . . 327--338
Grigorios P. Zouros CCOMP: an efficient algorithm for
complex roots computation of
determinantal equations . . . . . . . . 339--350
J. Derouillat and
A. Beck and
F. Pérez and
T. Vinci and
M. Chiaramello and
A. Grassi and
M. Flé and
G. Bouchard and
I. Plotnikov and
N. Aunai and
J. Dargent and
C. Riconda and
M. Grech Smilei: a collaborative, open-source,
multi-purpose particle-in-cell code for
plasma simulation . . . . . . . . . . . 351--373
K. Särkimäki and
E. Hirvijoki and
J. Terävä Adaptive time-stepping Monte Carlo
integration of Coulomb collisions . . . 374--383
Christian Y. Cardall and
Reuben D. Budiardja GenASiS Mathematics: Object-oriented
manifolds, operations, and solvers for
large-scale physics simulations . . . . 384--412
César Ayala and
Gorazd Cvetic anQCD: a Mathematica package for
calculations in general analytic QCD
models (new version announcement) . . . 413--413
I. I. Gontchar and
M. V. Chushnyakova DFMDEF18: a C-code for the double
folding interaction potential of a
spherical nucleus with deformed nucleus 414--417
Patrick Avery and
Zackary Falls and
Eva Zurek XtalOpt version r11: an open-source
evolutionary algorithm for crystal
structure prediction . . . . . . . . . . 418--419
Anonymous Editorial Board . . . . . . . . . . . . ifc--ifc
L. C. Appel and
I. Lupelli and
JET Contributors Equilibrium reconstruction in an iron
core tokamak using a deterministic
magnetisation model . . . . . . . . . . 1--17
X. Zhang and
J. Kang and
Z. Guo and
S. Xiong and
Q. Han Development of a Para-AMR algorithm for
simulating dendrite growth under
convection using a phase-field--lattice
Boltzmann method . . . . . . . . . . . . 18--27
InSuk Joung and
Jong Yun Kim and
Steven P. Gross and
Keehyoung Joo and
Jooyoung Lee Conformational Space Annealing
explained: a general optimization
algorithm, with diverse applications . . 28--33
Md Afibuzzaman and
Bastian Schuetrumpf and
Hasan Metin Aktulga Scalable nuclear density functional
theory with Sky3D . . . . . . . . . . . 34--44
J. López and
J. Hernández and
P. Gómez and
F. Faura VOFTools --- A software package of
calculation tools for volume of fluid
methods using general convex grids . . . 45--54
J. L. Cercos-Pita and
I. R. Cal and
D. Duque and
G. Sanjuán de Moreta NASAL-Geom, a free upper respiratory
tract $3$D model reconstruction software 55--68
V. M. Shabaev and
I. I. Tupitsyn and
V. A. Yerokhin QEDMOD: Fortran program for calculating
the model Lamb-shift operator . . . . . 69--69
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
S. M. Longshaw and
M. K. Borg and
S. B. Ramisetti and
J. Zhang and
D. A. Lockerby and
D. R. Emerson and
J. M. Reese mdFoam+: Advanced molecular dynamics in
OpenFOAM . . . . . . . . . . . . . . . . 1--21
C. White and
M. K. Borg and
T. J. Scanlon and
S. M. Longshaw and
B. John and
D. R. Emerson and
J. M. Reese dsmcFoam+: an OpenFOAM based direct
simulation Monte Carlo solver . . . . . 22--43
Carsten Urbach Reversibility violation in the Hybrid
Monte Carlo algorithm . . . . . . . . . 44--51
Xingjie Peng and
Pablo Ducru and
Shichang Liu and
Benoit Forget and
Jingang Liang and
Kord Smith Converting point-wise nuclear cross
sections to pole representation using
regularized vector fitting . . . . . . . 52--62
P. N. Sun and
A. Colagrossi and
S. Marrone and
M. Antuono and
A. M. Zhang Multi-resolution Delta-plus-SPH with
tensile instability control: Towards
high Reynolds number flows . . . . . . . 63--80
C. J. Jia and
Y. Wang and
C. B. Mendl and
B. Moritz and
T. P. Devereaux Paradeisos: a perfect hashing algorithm
for many-body eigenvalue problems . . . 81--89
Maoyuan Wang and
Gui-Bin Liu and
Hong Guo and
Yugui Yao An efficient method for hybrid density
functional calculation with spin-orbit
coupling . . . . . . . . . . . . . . . . 90--97
J. E. Macías-Díaz and
A. S. Hendy and
R. H. De Staelen A pseudo energy-invariant method for
relativistic wave equations with Riesz
space-fractional derivatives . . . . . . 98--107
Lijie Mei and
Li Huang Reliability of Lyapunov characteristic
exponents computed by the two-particle
method . . . . . . . . . . . . . . . . . 108--118
William Robert Saunders and
James Grant and
Eike Hermann Müller A domain specific language for
performance portable molecular dynamics
algorithms . . . . . . . . . . . . . . . 119--135
E. Boella and
G. Coppa and
A. D'Angola and
B. Peiretti Paradisi Gridless particle technique for the
Vlasov--Poisson system in problems with
high degree of symmetry . . . . . . . . 136--143
Nicolas Crouseilles and
Lukas Einkemmer and
Martina Prugger An exponential integrator for the
drift-kinetic model . . . . . . . . . . 144--153
S. A. Matveev and
V. I. Stadnichuk and
E. E. Tyrtyshnikov and
A. P. Smirnov and
N. V. Ampilogova and
N. V. Brilliantov Anderson acceleration method of finding
steady-state particle size distribution
for a wide class of
aggregation-fragmentation models . . . . 154--163
E. de Doncker and
F. Yuasa and
K. Kato and
T. Ishikawa and
J. Kapenga and
O. Olagbemi Regularization with numerical
extrapolation for finite and
UV-divergent multi-loop integrals . . . 164--185
Luis Vela Vela and
Raul Sanchez and
Joachim Geiger ALARIC: an algorithm for constructing
arbitrarily complex initial density
distributions with low particle noise
for SPH/SPMHD applications . . . . . . . 186--197
S. Stalter and
L. Yelash and
N. Emamy and
A. Statt and
M. Hanke and
M. Lukácová-Medvid'ová and
P. Virnau Molecular dynamics simulations in hybrid
particle-continuum schemes: Pitfalls and
caveats . . . . . . . . . . . . . . . . 198--208
John P. Boyd and
Paolo Amore and
Francisco M. Fernández Spectral algorithms for multiple scale
localized eigenfunctions in infinitely
long, slightly bent quantum waveguides 209--221
Kieran S. Austin and
Martin Marenz and
Wolfhard Janke Efficiencies of joint non-local update
moves in Monte Carlo simulations of
coarse-grained polymers . . . . . . . . 222--229
Haram Yeo and
Hyungson Ki A unified momentum equation approach for
computing thermal residual stresses
during melting and solidification . . . 230--244
P. A. Muñoz and
N. Jain and
P. Kilian and
J. Büchner A new hybrid code (CHIEF) implementing
the inertial electron fluid equation
without approximation . . . . . . . . . 245--264
Xianglin Liu and
Yang Wang and
Markus Eisenbach and
G. Malcolm Stocks Fully-relativistic full-potential
multiple scattering theory: a
pathology-free scheme . . . . . . . . . 265--272
Alexander Blinne and
David Schinkel and
Stephan Kuschel and
Nina Elkina and
Sergey G. Rykovanov and
Matt Zepf A systematic approach to numerical
dispersion in Maxwell solvers . . . . . 273--281
Andrey Pikelner FMFT: fully massive four-loop tadpoles 282--287
Phanish Suryanarayana and
Phanisri P. Pratapa and
Abhiraj Sharma and
John E. Pask SQDFT: Spectral Quadrature method for
large-scale parallel $ O(N) $ Kohn--Sham
calculations at high temperature . . . . 288--298
Deep Raj Meena and
Shridhar R. Gadre and
P. Balanarayan PAREMD: a parallel program for the
evaluation of momentum space properties
of atoms and molecules . . . . . . . . . 299--310
James Keaveney and
Charles S. Adams and
Ifan G. Hughes ElecSus: Extension to arbitrary geometry
magneto-optics . . . . . . . . . . . . . 311--324
Holger Homann and
François Laenen SoAx: a generic C++ Structure of Arrays
for handling particles in HPC codes . . 325--332
Florian Herren and
Matthias Steinhauser Version 3 of RunDec and CRunDec . . . . 333--345
Ansgar Denner and
Jean-Nicolas Lang and
Sandro Uccirati RECOLA2: REcursive Computation of
One-Loop Amplitudes 2 . . . . . . . . . 346--361
D. G. Green ANTICOOL: Simulating positron cooling
and annihilation in atomic gases . . . . 362--370
A. van Hameren KaTie: For parton-level event generation
with $ k_T $-dependent initial states 371--380
Alexis Diaz-Torres OWL: a code for the two-center shell
model with spherical Woods--Saxon
potentials . . . . . . . . . . . . . . . 381--386
Jonathan Gross and
Johannes Zierenberg and
Martin Weigel and
Wolfhard Janke Massively parallel multicanonical
simulations . . . . . . . . . . . . . . 387--395
Roman Korol and
Michael Kilgour and
Dvira Segal ProbeZT: Simulation of transport
coefficients of molecular electronic
junctions under environmental effects
using Büttiker's probes . . . . . . . . . 396--404
QuanSheng Wu and
ShengNan Zhang and
Hai-Feng Song and
Matthias Troyer and
Alexey A. Soluyanov WannierTools: an open-source software
package for novel topological materials 405--416
Yu-Liang Yan and
Dai-Mei Zhou and
Xu Cai and
Ben-Hao Sa Announcement for the replacement of the
PACIAE 2.1 and PACIAE 2.2 series . . . . 417--418
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
C. Bogner and
S. Borowka and
T. Hahn and
G. Heinrich and
S. P. Jones and
M. Kerner and
A. von Manteuffel and
M. Michel and
E. Panzer and
V. Papara Loopedia, a database for loop integrals 1--9
Shucheng Pan and
Xiangyu Y. Hu and
Nikolaus A. Adams High-resolution method for evolving
complex interface networks . . . . . . . 10--27
M. Rodriguez and
L. Brualla Many-integrated core (MIC) technology
for accelerating Monte Carlo simulation
of radiation transport: A study based on
the code DPM . . . . . . . . . . . . . . 28--35
E. Poli and
A. Bock and
M. Lochbrunner and
O. Maj and
M. Reich and
A. Snicker and
A. Stegmeir and
F. Volpe and
N. Bertelli and
R. Bilato and
G. D. Conway and
D. Farina and
F. Felici and
L. Figini and
R. Fischer and
C. Galperti and
T. Happel and
Y. R. Lin-Liu and
N. B. Marushchenko and
U. Mszanowski and
F. M. Poli and
J. Stober and
E. Westerhof and
R. Zille and
A. G. Peeters and
G. V. Pereverzev TORBEAM 2.0, a paraxial beam tracing
code for electron-cyclotron beams in
fusion plasmas for extended physics
applications . . . . . . . . . . . . . . 36--46
Yong Cai and
Xiangyang Cui and
Guangyao Li and
Wenyang Liu A parallel finite element procedure for
contact-impact problems using edge-based
smooth triangular element and GPU . . . 47--58
Daniel Jaschke and
Michael L. Wall and
Lincoln D. Carr Open source Matrix Product States:
Opening ways to simulate entangled
many-body quantum systems in one
dimension . . . . . . . . . . . . . . . 59--91
Dennis Bazow and
Ulrich Heinz and
Michael Strickland Massively parallel simulations of
relativistic fluid dynamics on graphics
processing units with CUDA . . . . . . . 92--113
A. Malagón-Romero and
A. Luque A domain-decomposition method to
implement electrostatic free boundary
conditions in the radial direction for
electric discharges . . . . . . . . . . 114--121
David L. Green and
Lee A. Berry and
Adam B. Simpson and
Timothy R. Younkin Kinetic-j: A computational kernel for
solving the linearized Vlasov equation
applied to calculations of the kinetic,
configuration space plasma current for
time harmonic wave electric fields . . . 122--127
Sergei Iskakov and
Michael Danilov Exact diagonalization library for
quantum electron models . . . . . . . . 128--139
Daniel Winkler and
Massoud Rezavand and
Wolfgang Rauch Neighbour lists for smoothed particle
hydrodynamics on GPUs . . . . . . . . . 140--148
V. I. Azarov and
A. Kramida and
M. Ya. Vokhmentsev IDEN2 --- a program for visual
identification of spectral lines and
energy levels in optical spectra of
atoms and simple molecules . . . . . . . 149--153
William Dawson and
Takahito Nakajima Massively parallel sparse matrix
function calculations with NTPoly . . . 154--165
Shouqing Jia and
Dongsheng La and
Xuelian Ma Numerical simulation of electromagnetic
waves in Schwarzschild space-time by
finite difference time domain method and
Green function method . . . . . . . . . 166--173
M. J. Rutter C2x: A tool for visualisation and input
preparation for Castep and other
electronic structure codes . . . . . . . 174--179
D. Regnier and
N. Dubray and
M. Verri\`ere and
N. Schunck FELIX-2.0: New version of the finite
element solver for the time dependent
generator coordinate method with the
Gaussian overlap approximation . . . . . 180--191
Barry I. Schneider and
Javier Segura and
Amparo Gil and
Xiaoxu Guan and
Klaus Bartschat A new Fortran 90 program to compute
regular and irregular associated
Legendre functions (new version
announcement) . . . . . . . . . . . . . 192--193
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Darren S. Reed and
Tim Dykes and
Rubén Cabezón and
Claudio Gheller and
Lucio Mayer DIAPHANE: A portable radiation transport
library for astrophysical applications 1--9
Zhicong Liu and
Ji Qiang Symplectic multi-particle tracking on
GPUs . . . . . . . . . . . . . . . . . . 10--17
Christopher P. Stone and
Andrew T. Alferman and
Kyle E. Niemeyer Accelerating finite-rate chemical
kinetics with coprocessors: Comparing
vectorization methods on GPUs, MICs, and
CPUs . . . . . . . . . . . . . . . . . . 18--29
C. D. Pemmaraju and
F. D. Vila and
J. J. Kas and
S. A. Sato and
J. J. Rehr and
K. Yabana and
David Prendergast Velocity-gauge real-time TDDFT within a
numerical atomic orbital basis set . . . 30--38
M. J. van Setten and
M. Giantomassi and
E. Bousquet and
M. J. Verstraete and
D. R. Hamann and
X. Gonze and
G.-M. Rignanese The PseudoDojo: Training and grading a
85 element optimized norm-conserving
pseudopotential table . . . . . . . . . 39--54
Raffaele D'Ambrosio and
Martina Moccaldi and
Beatrice Paternoster Parameter estimation in
IMEX-trigonometrically fitted methods
for the numerical solution of
reaction--diffusion problems . . . . . . 55--66
F. Nikfarjam and
Y. Cheny and
O. Botella The LS-STAG immersed boundary/cut-cell
method for non-Newtonian flows in $3$D
extruded geometries . . . . . . . . . . 67--80
Alex D. Chow and
Benedict D. Rogers and
Steven J. Lind and
Peter K. Stansby Incompressible SPH (ISPH) with fast
Poisson solver on a GPU . . . . . . . . 81--103
T. Kaneko Counting the number of Feynman graphs in
QCD . . . . . . . . . . . . . . . . . . 104--113
Mit H. Naik and
Manish Jain CoFFEE: Corrections For Formation Energy
and Eigenvalues for charged defect
simulations . . . . . . . . . . . . . . 114--126
Jan Scheffel and
Kristoffer Lindvall and
Hiu Fai Yik A time-spectral approach to numerical
weather prediction . . . . . . . . . . . 127--135
Emmanuel Busato and
David Calvet and
Timothée Theveneaux-Pelzer OpTHyLiC: An Optimised Tool for Hybrid
Limits Computation . . . . . . . . . . . 136--150
Holger Schmitz Schnek: a C++ library for the
development of parallel simulation codes
on regular grids . . . . . . . . . . . . 151--164
Danny Broberg and
Bharat Medasani and
Nils E. R. Zimmermann and
Guodong Yu and
Andrew Canning and
Maciej Haranczyk and
Mark Asta and
Geoffroy Hautier PyCDT: A Python toolkit for modeling
point defects in semiconductors and
insulators . . . . . . . . . . . . . . . 165--179
Wonqook Choi and
Kihyeon Cho and
Insung Yeo Performance profiling for brachytherapy
applications . . . . . . . . . . . . . . 180--186
Jyotiranjan Beuria and
Asesh Krishna Datta and
Dipsikha Debnath and
Konstantin T. Matchev LHC collider phenomenology of minimal
universal extra dimensions . . . . . . . 187--205
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Mario Zapata-Herrera and
Ángela S. Camacho and
Hanz Y. Ramírez Influence of the confinement potential
on the size-dependent optical response
of metallic nanometric particles . . . . 1--7
Mauricio Cerda and
Cristóbal A. Navarro and
Juan Silva and
Scott R. Waitukaitis and
Nicolás Mujica and
Nancy Hitschfeld A high-speed tracking algorithm for
dense granular media . . . . . . . . . . 8--16
Purnima Ghale and
Harley T. Johnson A sparse matrix--vector multiplication
based algorithm for accurate density
matrix computations on systems of
millions of atoms . . . . . . . . . . . 17--26
Alejandro López and
Matthew T. Stickland and
William M. Dempster CFD study of fluid flow changes with
erosion . . . . . . . . . . . . . . . . 27--41
Juan C. Criado MatchingTools: A Python library for
symbolic effective field theory
calculations . . . . . . . . . . . . . . 42--50
Alberto García and
Matthieu J. Verstraete and
Yann Pouillon and
Javier Junquera The \sc PSML format and library for
norm-conserving pseudopotential data
curation and interoperability . . . . . 51--71
Federico Ambrogi and
Sabine Kraml and
Suchita Kulkarni and
Ursula Laa and
Andre Lessa and
Veronika Magerl and
Jory Sonneveld and
Michael Traub and
Wolfgang Waltenberger SModelS v1.1 user manual: Improving
simplified model constraints with
efficiency maps . . . . . . . . . . . . 72--98
W. Guan and
X. Cheng and
J. Huang and
G. Huber and
W. Li and
J. A. McCammon and
B. Zhang RPYFMM: Parallel adaptive fast multipole
method for Rotne--Prager--Yamakawa
tensor in biomolecular hydrodynamics
simulations . . . . . . . . . . . . . . 99--108
Sebastian Krämer and
David Plankensteiner and
Laurin Ostermann and
Helmut Ritsch QuantumOptics.jl: A Julia framework for
simulating open quantum systems . . . . 109--116
Steffen Faik and
Anna Tauschwitz and
Igor Iosilevskiy The equation of state package FEOS for
high energy density matter . . . . . . . 117--125
M. Preti WiLE: A Mathematica package for weak
coupling expansion of Wilson loops in
ABJ(M) theory . . . . . . . . . . . . . 126--147
Zhiwei Lin and
Shaoen Jiang and
Lu Zhang and
Longyu Kuang and
Hang Li Maxis --- a rezoning and remapping code
in two dimensional cylindrical geometry 148--149
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Takayuki Umeda A three-step Boris integrator for
Lorentz force equation of charged
particles . . . . . . . . . . . . . . . 1--4
Andrew Bingham and
Hyoung K. Lee The viability of ADVANTG deterministic
method for synthetic radiography
generation . . . . . . . . . . . . . . . 5--10
Julian Lee Transfer matrix algorithm for computing
the exact partition function of a square
lattice polymer . . . . . . . . . . . . 11--21
Henri Vincenti and
Jean-Luc Vay Ultrahigh-order Maxwell solver with
extreme scalability for electromagnetic
PIC simulations of plasmas . . . . . . . 22--29
Mihail Nedjalkov and
Paul Ellinghaus and
Josef Weinbub and
Toufik Sadi and
Asen Asenov and
Ivan Dimov and
Siegfried Selberherr Stochastic analysis of surface roughness
models in quantum wires . . . . . . . . 30--37
T. Shakirov Convergence estimation of flat-histogram
algorithms based on simulation results 38--43
Sourendu Gupta and
Pushan Majumdar Accelerating lattice QCD simulations
with 2 flavors of staggered fermions on
multiple GPUs using OpenACC --- a first
attempt . . . . . . . . . . . . . . . . 44--53
M. Yu. Trofimov and
S. B. Kozitskiy and
A. D. Zakharenko Simulation of the pulse propagation by
the interacting mode parabolic equation
method . . . . . . . . . . . . . . . . . 54--60
E. J. du Toit and
M. R. O'Brien and
R. G. L. Vann Positivity-preserving scheme for
two-dimensional advection-diffusion
equations including mixed derivatives 61--68
N. M. Li and
X. Q. Xu and
T. D. Rognlien and
B. Gui and
J. Z. Sun and
D. Z. Wang Calculation of two-dimension radial
electric field in boundary plasmas by
using BOUT++ . . . . . . . . . . . . . . 69--82
Bernadett Ács and
Gergely Szlobodnyik and
Gábor Szederkényi A computational approach to the
structural analysis of uncertain kinetic
systems . . . . . . . . . . . . . . . . 83--95
Robert Warmbier and
Alexander Quandt Brillouin zone grid refinement for
highly resolved ab initio THz optical
properties of graphene . . . . . . . . . 96--99
M. P. Clay and
D. Buaria and
P. K. Yeung and
T. Gotoh GPU acceleration of a petascale
application for turbulent mixing at high
Schmidt number using OpenMP 4.5 . . . . 100--114
N. Auer and
L. Einkemmer and
P. Kandolf and
A. Ostermann Magnus integrators on multicore CPUs and
GPUs . . . . . . . . . . . . . . . . . . 115--122
Benjamin E. Niehoff Faster tensor canonicalization . . . . . 123--145
Florian Benedetti and
Claire Loison Comment to: ``Martini straight: Boosting
performance using a shorter cutoff and
GPUs'' by D. H. de Jong, S. Baoukina, H.
I. Ingólfsson, and S. J. Marrink . . . . 146--151
Shingo Ito and
Dmitri G. Fedorov and
Yuko Okamoto and
Stephan Irle Implementation of replica-exchange
umbrella sampling in GAMESS . . . . . . 152--162
Shao-Jun Dong and
Wen-Yuan Liu and
Chao Wang and
Yongjian Han and
G.-C. Guo and
Lixin He TNSPackage: A Fortran2003 library
designed for tensor network state
methods . . . . . . . . . . . . . . . . 163--177
Han Wang and
Linfeng Zhang and
Jiequn Han and
Weinan E DeePMD-kit: A deep learning package for
many-body potential energy
representation and molecular dynamics 178--184
Á. Baran and
Cs. Noszály and
T. Vertse JOZSO, a computer code for calculating
broad neutron resonances in
phenomenological nuclear potentials . . 185--191
Arya Fallahi and
Alireza Yahaghi and
Franz X. Kärtner MITHRA 1.0: A full-wave simulation tool
for free electron lasers . . . . . . . . 192--208
Nathan P. Walter and
Abhishek Jaiswal and
Zhikun Cai and
Yang Zhang LiquidLib: A comprehensive toolbox for
analyzing classical and ab initio
molecular dynamics simulations of
liquids and liquid-like matter with
applications to neutron scattering
experiments . . . . . . . . . . . . . . 209--218
Tamás Szidarovszky and
Maho Jono and
Kaoru Yamanouchi LIMAO: Cross-platform software for
simulating laser-induced alignment and
orientation dynamics of linear-,
symmetric- and asymmetric tops . . . . . 219--228
Burkhard Schmidt and
Carsten Hartmann WavePacket: A Matlab package for
numerical quantum dynamics. II: Open
quantum systems, optimal control, and
model reduction . . . . . . . . . . . . 229--244
Pushpalatha C. Bhat and
Harrison B. Prosper and
Sezen Sekmen and
Chip Stewart Optimizing event selection with the
random grid search . . . . . . . . . . . 245--257
Toni Giorgino How to differentiate collective
variables in free energy codes:
Computer-algebra code generation and
automatic differentiation . . . . . . . 258--263
Andrew Fowlie A fast C++ implementation of thermal
functions . . . . . . . . . . . . . . . 264--272
Tin Sulejmanpasic and
Mithat Ünsal Aspects of perturbation theory in
quantum mechanics: The BenderWu
Mathematica\reg package . . . . . . . . 273--289
Linyu Fan and
Jianwei Liao and
Junsen Zuo and
Kebo Zhang and
Chao Li and
Hailing Xiong Version 4.0 of code Java for $3$D
simulation of the CCA model . . . . . . 290--292
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Tongsong Jiang and
Zhaozhong Zhang and
Ziwu Jiang Algebraic techniques for eigenvalues and
eigenvectors of a split quaternion
matrix in split quaternionic mechanics 1--7
Boris I. Krasnopolsky An approach for accelerating
incompressible turbulent flow
simulations based on simultaneous
modelling of multiple ensembles . . . . 8--19
Bhaskar Chaudhury and
Anurag Gupta and
Henil Shah and
Saumya Bhadani Accelerated simulation of microwave
breakdown in gases on Xeon Phi based
cluster-application to self-organized
plasma pattern formation . . . . . . . . 20--35
Jan Eichstädt and
Mashy Green and
Michael Turner and
Joaquim Peiró and
David Moxey Accelerating high-order mesh
optimisation with an
architecture-independent programming
model . . . . . . . . . . . . . . . . . 36--53
Valentin Niess and
Anne Barnoud and
Cristina Cârloganu and
Eve Le Ménédeu Backward Monte-Carlo applied to muon
transport . . . . . . . . . . . . . . . 54--67
Shuyao Hu and
Chongwen Jiang and
Zhenxun Gao and
Chun-Hian Lee Disturbance region update method for
steady compressible flows . . . . . . . 68--86
Rinat Khaziev and
Davide Curreli hPIC: A scalable electrostatic
Particle-in-Cell for Plasma-Material
Interactions . . . . . . . . . . . . . . 87--98
Jen-Hao Chen and
Ren-Chuen Chen and
Jinn-Liang Liu A GPU Poisson--Fermi solver for ion
channel simulations . . . . . . . . . . 99--105
Hongxin Qi and
Xianghui Wang and
Jie Zhang and
Jianguo Wang An ADER discontinuous Galerkin method
with local time-stepping for transient
electromagnetics . . . . . . . . . . . . 106--115
Andrea Mentrelli and
Claudia Negulescu Asymptotic-preserving scheme for a
strongly anisotropic vorticity equation
arising in fusion plasma modeling . . . 116--128
Mathias Schwendt and
Walter Pötz Transparent boundary conditions for the
Bogoliubov--de Gennes equation in $ (1 +
1) $D . . . . . . . . . . . . . . . . . 129--147
Francisco Carter and
Nancy Hitschfeld and
Cristóbal A. Navarro and
Rodrigo Soto GPU parallel simulation algorithm of
Brownian particles with excluded volume
using Delaunay triangulations . . . . . 148--161
Diego Gonzalez-Herrero and
Elisabetta Boella and
Giovanni Lapenta Performance analysis and implementation
details of the Energy Conserving
Semi-Implicit Method code (ECsim) . . . 162--169
A. Arbona and
B. Miñano and
A. Rigo and
C. Bona and
C. Palenzuela and
A. Artigues and
C. Bona-Casas and
J. Massó Simflowny 2: An upgraded platform for
scientific modelling and simulation . . 170--181
Walter C. Ermler $ j j$-Coupling-based atomic
self-consistent-field calculations with
relativistic effective core potentials
and two-component spinors . . . . . . . 182--198
Xiaojue Zhu and
Everett Phillips and
Vamsi Spandan and
John Donners and
Gregory Ruetsch and
Joshua Romero and
Rodolfo Ostilla-Mónico and
Yantao Yang and
Detlef Lohse and
Roberto Verzicco and
Massimiliano Fatica and
Richard J. A. M. Stevens AFiD-GPU: A versatile Navier--Stokes
solver for wall-bounded turbulent flows
on GPU clusters . . . . . . . . . . . . 199--210
B. Schuetrumpf and
P.-G. Reinhard and
P. D. Stevenson and
A. S. Umar and
J. A. Maruhn The TDHF code Sky3D version 1.1 . . . . 211--213
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Roberto da Silva and
Henrique A. Fernandes Highly detailed computational study of a
surface reaction model with diffusion:
Four algorithms analyzed via
time-dependent and steady-state Monte
Carlo simulations . . . . . . . . . . . 1--9
Michael P. Howard and
Athanassios Z. Panagiotopoulos and
Arash Nikoubashman Efficient mesoscale hydrodynamics:
Multiparticle collision dynamics with
massively parallel GPU acceleration . . 10--20
Jaewook Kim and
Sungwoo Kang and
Jaechang Lim and
Sang-Yeon Hwang and
Woo Youn Kim Kohn--Sham approach for fast hybrid
density functional calculations in
real-space numerical grid methods . . . 21--26
Athmane Bakhta and
Eric Canc\`es and
Paul Cazeaux and
Shiang Fang and
Efthimios Kaxiras Compression of Wannier functions into
Gaussian-type orbitals . . . . . . . . . 27--37
Benedikt Roidl and
Yasushi Todo and
Yuichi Takase and
Naoto Tsujii and
Akira Ejiri and
Yusuke Yoshida and
Satoru Yajima and
Takahiro Shinya A simulation environment to simulate
lower-hybrid-wave-driven plasmas
efficiently . . . . . . . . . . . . . . 38--49
Mansur I. Ismailov and
Fermín S. V. Bazán and
Luciano Bedin Time-dependent perfusion coefficient
estimation in a bioheat transfer problem 50--58
Xiaoxing Liu and
Ryusei Ogawa and
Masatsugu Kato and
Koji Morita and
Shuai Zhang Accuracy and stability enhancements in
the incompressible
finite-volume-particle method for
multiphase flow simulations . . . . . . 59--69
Souvik Chakraborty and
Nicholas Zabaras Efficient data-driven reduced-order
models for high-dimensional multiscale
dynamical systems . . . . . . . . . . . 70--88
Álvaro Salinas and
Claudio E. Torres and
Orlando Ayala Well-balanced open boundary condition in
a lattice Boltzmann model for shallow
water with arbitrary bathymetry . . . . 89--98
P. Maierhöfer and
J. Usovitsch and
P. Uwer Kira --- a Feynman integral reduction
program . . . . . . . . . . . . . . . . 99--112
Zheyong Fan and
Ville Vierimaa and
Ari Harju GPUQT: An efficient linear-scaling
quantum transport code fully implemented
on graphics processing units . . . . . . 113--120
Patrick Kilian and
Cedric Schreiner and
Felix Spanier Afterlive: A performant code for
Vlasov-Hybrid simulations . . . . . . . 121--134
Hidekazu Ikeno mxpfit: A library for finding optimal
multi-exponential approximations . . . . 135--144
Peter Athron and
Markus Bach and
Dylan Harries and
Thomas Kwasnitza and
Jae-hyeon Park and
Dominik Stöckinger and
Alexander Voigt and
Jobst Ziebell FlexibleSUSY 2.0: Extensions to
investigate the phenomenology of SUSY
and non-SUSY models . . . . . . . . . . 145--217
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Matthieu Lemaire and
Hyunsuk Lee and
Bamidele Ebiwonjumi and
Chidong Kong and
Wonkyeong Kim and
Yunki Jo and
Jinsu Park and
Deokjung Lee Verification of photon transport
capability of UNIST Monte Carlo code MCS 1--18
Tao Jiang and
Zhen-Chao Chen and
Wei-Gang Lu and
Jin-Yun Yuan and
Deng-Shan Wang An efficient split-step and implicit
pure mesh-free method for the $2$D/$3$D
nonlinear Gross--Pitaevskii equations 19--30
A. Alvarez Laguna and
N. Ozak and
A. Lani and
H. Deconinck and
S. Poedts Fully-implicit finite volume method for
the ideal two-fluid plasma model . . . . 31--44
Joan Adler and
Sampo Kulju and
Jari Hyväluoma and
Keijo Mattila and
Kit Choi and
Ioannis Tziakos and
Didrik Pinte and
G. A. Garc\'ìa and
Y. Makushok and
V. Makushok and
J. Lama and
G. Román-Pérez and
Adham Hashibon and
Mehdi Sadeghi and
Nathan Franklin and
Amihai Silverman Visualization in the integrated SimPhoNy
multiscale simulation framework . . . . 45--61
Xiangyu Guo and
Qi Chu and
Shin Kee Chung and
Zhihui Du and
Linqing Wen and
Yanqi Gu GPU-acceleration on a low-latency
binary-coalescence gravitational wave
search pipeline . . . . . . . . . . . . 62--71
J. Xamán and
I. Hernández-López and
J. Uriarte-Flores and
I. Hernández-Pérez and
I. Zavala-Guillén and
P. Moreno-Bernal and
J. F. Hinojosa X-factor: A modified relaxation factor
to accelerate the convergence rate of
the radiative transfer equation with
high-order resolution schemes using the
Normalized Weighting-Factor method . . . 72--93
Mitsuru Honda Application of genetic algorithms to
modelings of fusion plasma physics . . . 94--106
Xufeng Xiao and
Kun Wang and
Xinlong Feng A lifted local Galerkin method for
solving the reaction-diffusion equations
on implicit surfaces . . . . . . . . . . 107--113
Daniel Guterding and
Harald O. Jeschke An efficient GPU algorithm for
tetrahedron-based Brillouin-zone
integration . . . . . . . . . . . . . . 114--121
Carlos-Antonio Cruz-López and
Juan-Luis François An alternative algorithm for the
linearization process of transmutation
and decay networks . . . . . . . . . . . 122--139
Georg K. H. Madsen and
Jesús Carrete and
Matthieu J. Verstraete BoltzTraP2, a program for interpolating
band structures and calculating
semi-classical transport coefficients 140--145
Roberto Barrio and
Peibing Du and
Hao Jiang and
Sergio Serrano ORTHOPOLY: A library for accurate
evaluation of series of classical
orthogonal polynomials and their
derivatives . . . . . . . . . . . . . . 146--162
Kaifeng Chen and
Bo Zhao and
Shanhui Fan MESH: A free electromagnetic solver for
far-field and near-field radiative heat
transfer for layered periodic structures 163--172
G. Bélanger and
F. Boudjema and
A. Goudelis and
A. Pukhov and
B. Zaldívar micrOMEGAs5.0: Freeze-in . . . . . . . . 173--186
Alexander Humeniuk and
Roland Mitri\'c A block Jacobi method for complex
skew-symmetric matrices with
applications in the time-dependent
variational principle . . . . . . . . . 187--197
John Back and
Tim Gershon and
Paul Harrison and
Thomas Latham and
Daniel O'Hanlon and
Wenbin Qian and
Pablo del Amo Sanchez and
Daniel Craik and
Jelena Ilic and
Juan Martin Otalora Goicochea and
Eugenia Puccio and
Rafael Silva Coutinho and
Mark Whitehead Laura++: a Dalitz plot fitter . . . . . 198--242
P. Domínguez-García and
M. Pancorbo and
F. Ortega and
M. A. Rubio JColloids: Image analysis for
video-microscopy studies of colloidal
suspensions . . . . . . . . . . . . . . 243--244
Nikolay D. Gagunashvili and
Helgi Halldorsson CHIWEI: A code of goodness of fit tests
for weighted and unweighted histograms
in Fortran-77, C++, R and Python . . . . 245--245
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
H\`elios Sanchis-Alepuz and
Richard Williams Recent developments in bound-state
calculations using the Dyson--Schwinger
and Bethe--Salpeter equations . . . . . 1--21
Rafa\l Kie\lbik and
Krzysztof Ha\lagan and
Witold Zatorski and
Jaros\law Jung and
Jacek Ula\'nski and
Andrzej Napieralski and
Kamil Rudnicki and
Piotr Amrozik and
Grzegorz Jab\lo\'nski and
Dominik Sto\.zek and
Piotr Polanowski and
Zbigniew Mudza and
Joanna Kupis and
Przemys\law Panek ARUZ --- Large-scale, massively parallel
FPGA-based analyzer of real complex
systems . . . . . . . . . . . . . . . . 22--34
Công Tâm Tran and
Beno\^\it Crespin and
Manuella Cerbelaud and
Arnaud Videcoq Colloidal suspension by SRD--MD
simulation on GPU . . . . . . . . . . . 35--45
Ben Zhu and
Manaure Francisquez and
Barrett N. Rogers GDB: a global $3$D two-fluid model of
plasma turbulence and transport in the
tokamak edge . . . . . . . . . . . . . . 46--58
Frédéric Magniette Statistical algorithms for particle
trajectography . . . . . . . . . . . . . 59--70
Jason Aebischer and
Ilaria Brivio and
Alejandro Celis and
Jared A. Evans and
Yun Jiang and
Jacky Kumar and
Xuanyou Pan and
Werner Porod and
Janusz Rosiek and
David Shih and
Florian Staub and
David M. Straub and
Danny van Dyk and
Avelino Vicente WCxf: an exchange format for Wilson
coefficients beyond the Standard Model 71--83
Jorge Gomes and
Emanuele Bagnaschi and
Isabel Campos and
Mario David and
Lu\'ìs Alves and
João Martins and
João Pina and
Alvaro López-García and
Pablo Orviz Enabling rootless Linux Containers in
multi-user environments: the \tt udocker
tool . . . . . . . . . . . . . . . . . . 84--97
Eelis Solala and
Pauli Parkkinen and
Dage Sundholm Tensor decompositions for the bubbles
and cube numerical framework . . . . . . 98--103
Cheng Liu and
Changhong Hu Block-based adaptive mesh refinement for
fluid-structure interactions in
incompressible flows . . . . . . . . . . 104--123
Chris Nellis and
Thomas Danielson and
Aditya Savara and
Celine Hin The F-t-Pj-RG method: an
adjacent-rolling-windows based
steady-state detection technique for
application to kinetic Monte Carlo
simulations . . . . . . . . . . . . . . 124--138
Abbas Khayyer and
Hitoshi Gotoh and
Hosein Falahaty and
Yuma Shimizu An enhanced ISPH--SPH coupled method for
simulation of incompressible
fluid-elastic structure interactions . . 139--164
Hua Shen and
Matteo Parsani Positivity-preserving CE/SE schemes for
solving the compressible Euler and
Navier--Stokes equations on hybrid
unstructured meshes . . . . . . . . . . 165--176
Eliseo García and
Javier Moreno and
Felipe Cátedra Speeding-up the CBFM--MLFMA approach for
scattering analysis of very large
electromagnetic problems . . . . . . . . 177--189
David Ferro-Costas and
M. Natália D. S. Cordeiro and
Donald G. Truhlar and
Antonio Fernández-Ramos Q2DTor: a program to treat torsional
anharmonicity through coupled pair
torsions in flexible molecules . . . . . 190--205
Pranav Madhikar and
Jan Åström and
Jan Westerholm and
Mikko Karttunen CellSim3D: GPU accelerated software for
simulations of cellular growth and
division in three dimensions . . . . . . 206--213
Shigeru Odaka and
Yoshimasa Kurihara GR@PPA 2.9: Radiation matching for
simulating photon production processes
in hadron collisions . . . . . . . . . . 214--219
M. Chrzaszcz and
T. Przedzinski and
Z. Was and
J. Zaremba TAUOLA of $ \tau $ lepton decays ---
framework for hadronic currents, matrix
elements and anomalous decays . . . . . 220--236
Andrius Poskus BREMS: a program for calculating spectra
and angular distributions of
bremsstrahlung at electron energies less
than 3 MeV . . . . . . . . . . . . . . . 237--255
H. Lambert and
Adam Fekete and
J. R. Kermode and
A. De Vita Imeall: a computational framework for
the calculation of the atomistic
properties of grain boundaries . . . . . 256--263
Shouqing Jia New version of FDTD with GFM program in
Schwarzschild space-time . . . . . . . . 264--265
Alexander Kramida Corrigendum to ``Configuration
interactions of class 11: an error in
Cowan's atomic structure theory''
[Comput. Phys. Commun. 215 (2017)
47--48] . . . . . . . . . . . . . . . . 266--267
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Mai O. Sallam and
Guy A. E. Vandenbosch and
Georges Gielen and
Ezzeldin A. Soliman Generalized mode solver for plasmonic
transmission lines embedded in layered
media based on the Method of Moments . . 1--15
Xiaohu Guo and
Benedict D. Rogers and
Steven Lind and
Peter K. Stansby New massively parallel scheme for
Incompressible Smoothed Particle
Hydrodynamics (ISPH) for highly
nonlinear and distorted flow . . . . . . 16--28
M. A. Clark and
Alexei Strelchenko and
Alejandro Vaquero and
Mathias Wagner and
Evan Weinberg Pushing memory bandwidth limitations
through efficient implementations of
Block-Krylov space solvers on GPUs . . . 29--40
T. M. Solovjeva and
A. G. Soloviev Comparative study of the effectiveness
of PROOF with other parallelization
methods implemented in the ROOT software
package . . . . . . . . . . . . . . . . 41--43
Zongrui Pei DIST: a dislocation-simulation toolkit 44--50
Junpu Li and
Wen Chen and
Qinghua Qin and
Zhuojia Fu A modified dual-level fast multipole
boundary element method for large-scale
three-dimensional potential problems . . 51--61
A. Boer Implementation of the replica-exchange
Wang--Landau sampling on Graphics
Processing Units (GPUs) . . . . . . . . 62--66
Guangpu Zhu and
Jisheng Kou and
Shuyu Sun and
Jun Yao and
Aifen Li Decoupled, energy stable schemes for a
phase-field surfactant model . . . . . . 67--77
Xuecheng Shao and
Qiang Xu and
Sheng Wang and
Jian Lv and
Yanchao Wang and
Yanming Ma Large-scale ab initio simulations for
periodic system . . . . . . . . . . . . 78--83
Wesley J. M. Ridgway and
Alexei F. Cheviakov An iterative procedure for finding
locally and globally optimal
arrangements of particles on the unit
sphere . . . . . . . . . . . . . . . . . 84--109
Kanchan Sarkar and
N. A. W. Holzwarth and
R. M. Wentzcovitch EPAW-1.0 code for evolutionary
optimization of PAW datasets especially
for high-pressure applications . . . . . 110--122
William J. Cunningham and
Dmitri Krioukov Causal set generator and action computer 123--133
Shinya Kanemura and
Mariko Kikuchi and
Kodai Sakurai and
Kei Yagyu H-COUP: a program for one-loop corrected
Higgs boson couplings in non-minimal
Higgs sectors . . . . . . . . . . . . . 134--144
V. V. Sargsyan and
S. Yu. Grigoryev and
G. G. Adamian and
N. V. Antonenko Capture cross section with quantum
diffusion approach . . . . . . . . . . . 145--155
Jannis Teunissen and
Ute Ebert Afivo: a framework for quadtree/octree
AMR with shared-memory parallelization
and geometric multigrid methods . . . . 156--166
Peter R. Wiecha \pkgpyGDM --- A Python toolkit for
full-field electro-dynamical simulations
and evolutionary optimization of
nanostructures . . . . . . . . . . . . . 167--192
N. A. Loppi and
F. D. Witherden and
A. Jameson and
P. E. Vincent A high-order cross-platform
incompressible Navier--Stokes solver via
artificial compressibility with
application to a turbulent jet . . . . . 193--205
Zdenek Martinec and
David Einspigel SHAVEL: a program for the spherical
harmonic analysis of a horizontal vector
field sampled in an equiangular grid on
a sphere . . . . . . . . . . . . . . . . 206--214
Gökhan Ünel and
Sezen Sekmen CutLang: a Particle Physics Analysis
Description Language and Runtime
Interpreter . . . . . . . . . . . . . . 215--236
R. Consiglio and
P. F. de Salas and
G. Mangano and
G. Miele and
S. Pastor and
O. Pisanti PArthENoPE reloaded . . . . . . . . . . 237--242
Falko Dulat and
Achilleas Lazopoulos and
Bernhard Mistlberger iHixs $2$-Inclusive Higgs cross sections 243--260
Sudipta Kundu and
Satadeep Bhattacharjee and
Seung-Cheol Lee and
Manish Jain PASTA: Python Algorithms for Searching
Transition stAtes . . . . . . . . . . . 261--268
Kasper J. Larsen and
Robbert Rietkerk MultivariateResidues: a Mathematica
package for computing multivariate
residues . . . . . . . . . . . . . . . . 269--270
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
P. Donnel and
X. Garbet and
Y. Sarazin and
V. Grandgirard and
Y. Asahi and
N. Bouzat and
E. Caschera and
G. Dif-Pradalier and
C. Ehrlacher and
P. Ghendrih and
C. Gillot and
G. Latu and
C. Passeron A multi-species collisional operator for
full-$F$ global gyrokinetics codes:
Numerical aspects and verification with
the GYSELA code . . . . . . . . . . . . 1--13
Minh Tuan Ho and
Lianhua Zhu and
Lei Wu and
Peng Wang and
Zhaoli Guo and
Zhi-Hui Li and
Yonghao Zhang A multi-level parallel solver for
rarefied gas flows in porous media . . . 14--25
Ying Wei and
Chao Yang and
Jizu Huang Parallel energy-stable phase field
crystal simulations based on domain
decomposition methods . . . . . . . . . 26--39
Alain Cartalade and
Amina Younsi and
Marie-Christine Néel Multiple-Relaxation-Time Lattice
Boltzmann scheme for fractional
advection--diffusion equation . . . . . 40--54
Winfried Auzinger and
Iva Brezinová and
Harald Hofstätter and
Othmar Koch and
Michael Quell Practical splitting methods for the
adaptive integration of nonlinear
evolution equations. Part II:
Comparisons of local error estimation
and step-selection strategies for
nonlinear Schrödinger and wave equations 55--71
Lin Fu and
Zhe Ji An optimal particle setup method with
Centroidal Voronoi Particle dynamics . . 72--92
L. Chiron and
M. de Leffe and
G. Oger and
D. Le Touzé Fast and accurate SPH modelling of $3$D
complex wall boundaries in viscous and
non viscous flows . . . . . . . . . . . 93--111
M. S. Egorova and
S. A. Dyachkov and
A. N. Parshikov and
V. V. Zhakhovsky Parallel SPH modeling using dynamic
domain decomposition and load balancing
displacement of Voronoi subdomains . . . 112--125
C. F. Clauser and
R. Farengo and
H. E. Ferrari FOCUS: a full-orbit CUDA solver for
particle simulations in magnetized
plasmas . . . . . . . . . . . . . . . . 126--136
G. Di Ilio and
D. Chiappini and
S. Ubertini and
G. Bella and
S. Succi A moving-grid approach for
fluid-structure interaction problems
with hybrid lattice Boltzmann method . . 137--145
Zhenping Chen and
Jinsen Xie and
Qian Guo and
Qin Xie and
Zijing Liu and
Wenjie Zeng and
Chao Xie and
Pengcheng Zhao and
Tao Yu Physics-oriented optimization strategy
for the energy lookup algorithm in
continuous energy Monte Carlo neutron
transport simulation . . . . . . . . . . 146--158
Ting Lan and
Jian Liu and
Hong Qin and
Lin Li Xu Time-domain global similarity method for
automatic data cleaning for
multi-channel measurement systems in
magnetic confinement fusion devices . . 159--166
Z. He and
M. Davidsaver and
K. Fukushima and
G. Shen and
M. Ikegami and
J. Bengtsson The fast linear accelerator modeling
engine for FRIB online model service . . 167--178
A. Bussone and
M. Della Morte and
V. Drach and
C. Pica Tuning the hybrid Monte Carlo algorithm
using molecular dynamics forces'
variances . . . . . . . . . . . . . . . 179--187
Edmond Levy Decay chain differential equations:
Solutions through matrix analysis . . . 188--194
Arieh Iserles and
Karolina Kropielnicka and
Pranav Singh Compact schemes for laser--matter
interaction in Schrödinger equation based
on effective splittings of Magnus
expansion . . . . . . . . . . . . . . . 195--201
Vladimir P. Gerdt and
Markus Lange-Hegermann and
Daniel Robertz The MAPLE package TDDS for computing
Thomas decompositions of systems of
nonlinear PDEs . . . . . . . . . . . . . 202--215
S. Reinhardt and
C. Butschkow and
S. Geissler and
A. Dirnaichner and
F. Olbrich and
C. E. Lane and
D. Schröer and
A. K. Hüttel Lab::Measurement --- a portable and
extensible framework for controlling lab
equipment and conducting measurements 216--222
Roman Vetter and
Jürgen O. Schumacher Free open reference implementation of a
two-phase PEM fuel cell model . . . . . 223--234
Felix Kallenborn and
Christian Hundt and
Sebastian Böser and
Bertil Schmidt Massively parallel computation of
atmospheric neutrino oscillations on
CUDA-enabled accelerators . . . . . . . 235--244
Henryk Czyz and
Patrycja Kisza EKHARA 3.0: an update of the EKHARA
Monte Carlo event generator . . . . . . 245--255
Isabell Engeln and
Margarete Mühlleitner and
Jonas Wittbrodt N2HDECAY: Higgs boson decays in the
different phases of the N2HDM . . . . . 256--262
Romain Garnier Dual vibration configuration interaction
(DVCI). An efficient factorization of
molecular Hamiltonian for high
performance infrared spectrum
computation . . . . . . . . . . . . . . 263--277
Phanish Suryanarayana and
Phanisri P. Pratapa and
John E. Pask Alternating Anderson--Richardson method:
an efficient alternative to
preconditioned Krylov methods for large,
sparse linear systems . . . . . . . . . 278--285
Evangelos Voyiatzis and
Michael C. Böhm An open-source implementation of a quasi
harmonic approach to compute the
intramolecular entropy of particle
systems . . . . . . . . . . . . . . . . 286--293
Barbara De Palma and
Marco Erba and
Luca Mantovani and
Nicola Mosco A Python program for the implementation
of the $ \Gamma $-method for Monte Carlo
simulations . . . . . . . . . . . . . . 294--301
J. Avellar and
M. S. Cardoso and
L. G. S. Duarte and
L. A. C. P. da Mota Dealing with rational second order
ordinary differential equations where
both Darboux and Lie find it difficult:
the $S$-function method . . . . . . . . 302--314
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
J. Gounley and
M. Vardhan and
A. Randles A framework for comparing vascular
hemodynamics at different points in time 1--8
S. Maeyama and
T.-H. Watanabe and
Y. Idomura and
M. Nakata and
M. Nunami Implementation of a gyrokinetic
collision operator with an implicit time
integration scheme and its computational
performance . . . . . . . . . . . . . . 9--15
V. Olshevsky and
F. Bacchini and
S. Poedts and
G. Lapenta Slurm: Fluid particle-in-cell code for
plasma modeling . . . . . . . . . . . . 16--24
Lin Fu A low-dissipation finite-volume method
based on a new TENO shock-capturing
scheme . . . . . . . . . . . . . . . . . 25--39
Matteo Patriarca and
Patricio Farrell and
Jürgen Fuhrmann and
Thomas Koprucki Highly accurate quadrature-based
Scharfetter--Gummel schemes for charge
transport in degenerate semiconductors 40--49
C. E. Starrett and
N. M. Gill and
T. Sjostrom and
C. W. Greeff Wide ranging equation of state with
Tartarus: a hybrid Green's
function/orbital based average atom code 50--62
Philip Ortwein and
Stephen M. Copplestone and
Claus-Dieter Munz and
Tilman Binder and
Wladimir Reschke and
Stefanos Fasoulas A particle localization algorithm on
unstructured curvilinear polynomial
meshes . . . . . . . . . . . . . . . . . 63--74
Dongxin Pan and
Chengwen Zhong and
Congshan Zhuo and
Sha Liu A two-stage fourth-order gas-kinetic
scheme on unstructured hybrid mesh . . . 75--87
Manaschai Kunaseth and
Supa Hannongbua and
Aiichiro Nakano Shift/collapse on neighbor list
(SC-NBL): Fast evaluation of dynamic
many-body potentials in molecular
dynamics simulations . . . . . . . . . . 88--94
Zongrui Pei and
Markus Eisenbach and
Sai Mu and
G. Malcolm Stocks Error controlling of the combined
Cluster-Expansion and Wang--Landau
Monte-Carlo method and its application
to FeCo . . . . . . . . . . . . . . . . 95--101
Olga Shapoval and
Jean-Luc Vay and
Henri Vincenti Two-step perfectly matched layer for
arbitrary-order pseudo-spectral
analytical time-domain methods . . . . . 102--110
Jinsu Park and
Peng Zhang and
Hyunsuk Lee and
Sooyoung Choi and
Jiankai Yu and
Deokjung Lee Performance evaluation of CMFD on
inter-cycle correlation reduction of
Monte Carlo simulation . . . . . . . . . 111--119
Tonatiuh Sánchez-Vizuet and
Manuel E. Solano A Hybridizable Discontinuous Galerkin
solver for the Grad--Shafranov equation 120--132
Menglong Zhao and
Alex Chankin and
David Coster An iterative algorithm of coupling the
Kinetic Code for Plasma Periphery (KIPP)
with SOLPS . . . . . . . . . . . . . . . 133--152
Jian-Xiao Liu and
Lu Ju and
Peng Du and
Yu-Jie Liu and
Hong-Wei Yang An improved cascaded SO-FDTD method for
high temperature magnetized plasma . . . 153--158
Christoph Dalitz and
Yassid Ayyad and
Jens Wilberg and
Lukas Aymans and
Daniel Bazin and
Wolfgang Mittig Automatic trajectory recognition in
Active Target Time Projection Chambers
data by means of hierarchical clustering 159--168
Bogdan Tanygin Langevin dynamics simulation with
dipole-dipole interactions: Massive
performance improvements and advanced
analytical integrator . . . . . . . . . 169--178
Lukas Exl and
Johann Fischbacher and
Alexander Kovacs and
Harald Oezelt and
Markus Gusenbauer and
Thomas Schrefl Preconditioned nonlinear conjugate
gradient method for micromagnetic energy
minimization . . . . . . . . . . . . . . 179--186
Mauro Del Ben and
Felipe H. da Jornada and
Andrew Canning and
Nathan Wichmann and
Karthik Raman and
Ruchira Sasanka and
Chao Yang and
Steven G. Louie and
Jack Deslippe Large-scale GW calculations on
pre-exascale HPC systems . . . . . . . . 187--195
Sheng Bi and
Li Huang and
Ning-Hua Tong Natural orbital-based Lanczos method for
Anderson impurity models . . . . . . . . 196--209
Jiaxiang Cai and
Yushun Wang and
Chaolong Jiang Local structure-preserving algorithms
for general multi-symplectic Hamiltonian
PDEs . . . . . . . . . . . . . . . . . . 210--220
T. Hammerschmidt and
B. Seiser and
M. E. Ford and
A. N. Ladines and
S. Schreiber and
N. Wang and
J. Jenke and
Y. Lysogorskiy and
C. Teijeiro and
M. Mrovec and
M. Cak and
E. R. Margine and
D. G. Pettifor and
R. Drautz BOPfox program for tight-binding and
analytic bond-order potential
calculations . . . . . . . . . . . . . . 221--233
Xiaofeng Yang and
Jia Zhao Efficient linear schemes for the
nonlocal Cahn--Hilliard equation of
phase field models . . . . . . . . . . . 234--245
D. Samaddar and
D. P. Coster and
X. Bonnin and
L. A. Berry and
W. R. Elwasif and
D. B. Batchelor Application of the parareal algorithm to
simulations of ELMs in ITER plasma . . . 246--257
Tadeusz Tomczak and
Roman G. Szafran A new GPU implementation for
lattice-Boltzmann simulations on sparse
geometries . . . . . . . . . . . . . . . 258--278
Joshua P. Wilson Generalized Finite-Difference
Time-Domain method with absorbing
boundary conditions for solving the
nonlinear Schrödinger equation on a GPU 279--292
Marcin Ma\'zdziarz A comment on the article ``Ab initio
calculations of pressure-dependence of
high-order elastic constants using
finite deformations approach'' by I.
Mosyagin, A. V. Lugovskoy, O. M.
Krasilnikov, Yu. Kh. Vekilov, S. I.
Simak and I. A. Abrikosov [Computer
Physics Communications \bf 220 (2017)
20--30] . . . . . . . . . . . . . . . . 293--294
I. Mosyagin and
A. V. Lugovskoy and
O. M. Krasilnikov and
Yu. Kh. Vekilov and
S. I. Simak and
I. A. Abrikosov Reply to the comment by M. Ma\'zdziarz
on the article ``Ab initio calculations
of pressure-dependence of high-order
elastic constants using finite
deformations approach'' [Computer
Physics Communications \bf 220 (2017)
20--30] . . . . . . . . . . . . . . . . 295--296
Alfred C. K. Farris and
Ying Wai Li and
Markus Eisenbach Histogram-free multicanonical Monte
Carlo sampling to calculate the density
of states . . . . . . . . . . . . . . . 297--304
Ioan Hadade and
Feng Wang and
Mauro Carnevale and
Luca di Mare Some useful optimisations for
unstructured computational fluid
dynamics codes on multicore and manycore
architectures . . . . . . . . . . . . . 305--323
Nicola Giuliani BlackNUFFT: Modular customizable black
box hybrid parallelization of type 3
NUFFT in $3$D . . . . . . . . . . . . . 324--335
Moritz Hütten and
Céline Combet and
David Maurin CLUMPY v3: $ \gamma $-ray and $ \nu $
signals from dark matter at all scales 336--345
J. R. King and
I. V. Pogorelov and
K. M. Amyx and
M. Borland and
R. Soliday GPU acceleration and performance of the
particle-beam-dynamics code Elegant . . 346--355
Masashi Noda and
Shunsuke A. Sato and
Yuta Hirokawa and
Mitsuharu Uemoto and
Takashi Takeuchi and
Shunsuke Yamada and
Atsushi Yamada and
Yasushi Shinohara and
Maiku Yamaguchi and
Kenji Iida and
Isabella Floss and
Tomohito Otobe and
Kyung-Min Lee and
Kazuya Ishimura and
Taisuke Boku and
George F. Bertsch and
Katsuyuki Nobusada and
Kazuhiro Yabana SALMON: Scalable Ab-initio Light-Matter
simulator for Optics and Nanoscience . . 356--365
N. Sanna and
G. Morelli and
S. Orlandini and
I. Baccarelli VOLSCAT2.0: the new version of the
package for electron and positron
scattering off molecular targets . . . . 366--377
O. P. Shemyakin and
P. R. Levashov and
P. A. Krasnova TFmix: a high-precision implementation
of the finite-temperature Thomas--Fermi
model for a mixture of atoms . . . . . . 378--387
Markus Wallerberger and
Andreas Hausoel and
Patrik Gunacker and
Alexander Kowalski and
Nicolaus Parragh and
Florian Goth and
Karsten Held and
Giorgio Sangiovanni w2dynamics: Local one- and two-particle
quantities from dynamical mean field
theory . . . . . . . . . . . . . . . . . 388--399
Stanislav Poslavsky Rings: an efficient Java/Scala library
for polynomial rings . . . . . . . . . . 400--413
Adam Glos and
Jaroslaw Adam Miszczak and
Mateusz Ostaszewski QSWalk.jl: Julia package for quantum
stochastic walks analysis . . . . . . . 414--421
Yao-Lung L. Fang FDTD: Solving $ 1 + 1 $D delay PDE in
parallel . . . . . . . . . . . . . . . . 422--432
J. Ekman and
P. Jönsson and
M. Godefroid and
C. Nazé and
G. Gaigalas and
J. Biero\'n ris 4: a program for relativistic
isotope shift calculations . . . . . . . 433--446
Takahiro Misawa and
Satoshi Morita and
Kazuyoshi Yoshimi and
Mitsuaki Kawamura and
Yuichi Motoyama and
Kota Ido and
Takahiro Ohgoe and
Masatoshi Imada and
Takeo Kato mVMC-Open-source software for
many-variable variational Monte Carlo
method . . . . . . . . . . . . . . . . . 447--462
L. Schneider and
M. Müller Multi-architecture Monte-Carlo (MC)
simulation of soft coarse-grained
polymeric materials: SOft coarse grained
Monte-Carlo Acceleration (SOMA) . . . . 463--476
Marlon Brenes and
Vipin Kerala Varma and
Antonello Scardicchio and
Ivan Girotto Massively parallel implementation and
approaches to simulate quantum dynamics
using Krylov subspace techniques . . . . 477--488
A. Jablonski The Chandrasekhar function for modeling
photoelectron transport in solids . . . 489--501
F. C. Bocquet and
G. Mercurio and
M. Franke and
G. van Straaten and
S. Weiß and
S. Soubatch and
C. Kumpf and
F. S. Tautz Torricelli: a software to determine
atomic spatial distributions from normal
incidence X-ray standing wave data . . . 502--513
Daniel Winkler and
Massoud Rezavand and
Michael Meister and
Wolfgang Rauch gpuSPHASE --- a shared memory caching
implementation for $2$D SPH using CUDA
(new version announcement) . . . . . . . 514--516
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Pavel V. Bushlanov and
Vladislav A. Blatov and
Artem R. Oganov Topology-based crystal structure
generator . . . . . . . . . . . . . . . 1--7
F. Orts and
G. Ortega and
E. M. Garzón and
A. M. Puertas Finite size effects in active
microrheology in colloids . . . . . . . 8--14
Stefan Krieg and
Thomas Luu and
Johann Ostmeyer and
Philippos Papaphilippou and
Carsten Urbach Accelerating Hybrid Monte Carlo
simulations of the Hubbard model on the
hexagonal lattice . . . . . . . . . . . 15--25
Augustinas Stepsys and
Saulius Mickevicius and
Darius Germanas and
Ramutis Kazys Kalinauskas Calculation of orbital fractional
parentage coefficients for five
particles in translationally invariant
basis . . . . . . . . . . . . . . . . . 26--33
P. Cazeaux and
J. S. Hesthaven Projective multiscale time-integration
for electrostatic particle-in-cell
methods . . . . . . . . . . . . . . . . 34--50
Constantia Alexandrou and
Simone Bacchio and
Jacob Finkenrath Multigrid approach in shifted linear
systems for the non-degenerated twisted
mass operator . . . . . . . . . . . . . 51--64
Satoshi Morita and
Naoki Kawashima Calculation of higher-order moments by
higher-order tensor renormalization
group . . . . . . . . . . . . . . . . . 65--71
F. Jamshidi and
H. Heimel and
M. Hasert and
X. Cai and
O. Deutschmann and
H. Marschall and
M. Wörner On suitability of phase-field and
algebraic volume-of-fluid OpenFOAM\reg
solvers for gas-liquid microfluidic
applications . . . . . . . . . . . . . . 72--85
Hyun-Seok Kim and
Jae-Hyun Kim and
Song-Hyun Cha and
Seonho Cho Optimal determination of force field
parameters for reduced molecular
dynamics model . . . . . . . . . . . . . 86--94
Darae Jeong and
Junseok Kim Fast and accurate adaptive finite
difference method for dendritic growth 95--103
M. Francisquez and
B. Zhu and
B. N. Rogers Multigrid treatment of implicit
continuum diffusion . . . . . . . . . . 104--117
Maksim Ulybyshev and
Nils Kintscher and
Karsten Kahl and
Pavel Buividovich Schur complement solver for Quantum
Monte-Carlo simulations of strongly
interacting fermions . . . . . . . . . . 118--127
J. G. Chen and
X. Q. Xu and
Y. A. Lei Extension of Landau-fluid closure to
weakly collisional plasma regime . . . . 128--134
Changming Yue and
Yilin Wang and
Junya Otsuki and
Xi Dai CT-X: an efficient continuous-time
quantum Monte Carlo impurity solver in
the Kondo regime . . . . . . . . . . . . 135--152
Diego Gonzalez-Herrero and
Alfredo Micera and
Elisabetta Boella and
Jaeyoung Park and
Giovanni Lapenta ECsim-CYL: Energy Conserving
Semi-Implicit particle in cell
simulation in axially symmetric
cylindrical coordinates . . . . . . . . 153--163
S. K. Lai and
Wafa Maftuhin An efficient optimization algorithm that
hybridizes DFTB and DFT theories both
operated within the modified basin
hopping method . . . . . . . . . . . . . 164--175
Robert Searles and
Sunita Chandrasekaran and
Wayne Joubert and
Oscar Hernandez MPI + OpenACC: Accelerating radiation
transport mini-application, minisweep,
on heterogeneous systems . . . . . . . . 176--187
Peter Koval and
Marc Barbry and
Daniel Sánchez-Portal PySCF-NAO: an efficient and flexible
implementation of linear response
time-dependent density functional theory
with numerical atomic orbitals . . . . . 188--204
Olga Goulko and
Alexander Gaenko and
Emanuel Gull and
Nikolay Prokof'ev and
Boris Svistunov Implementation of the bin hierarchy
method for restoring a smooth function
from a sampled histogram . . . . . . . . 205--213
Venkat Kapil and
Mariana Rossi and
Ondrej Marsalek and
Riccardo Petraglia and
Yair Litman and
Thomas Spura and
Bingqing Cheng and
Alice Cuzzocrea and
Robert H. Meißner and
David M. Wilkins and
Benjamin A. Helfrecht and
Przemys\law Juda and
Sébastien P. Bienvenue and
Wei Fang and
Jan Kessler and
Igor Poltavsky and
Steven Vandenbrande and
Jelle Wieme and
Clemence Corminboeuf and
Thomas D. Kühne and
David E. Manolopoulos and
Thomas E. Markland and
Jeremy O. Richardson and
Alexandre Tkatchenko and
Gareth A. Tribello and
Veronique Van Speybroeck and
Michele Ceriotti i-PI 2.0: a universal force engine for
advanced molecular simulations . . . . . 214--223
Iain Bethune and
Ralf Banisch and
Elena Breitmoser and
Antonia B. K. Collis and
Gordon Gibb and
Gianpaolo Gobbo and
Charles Matthews and
Graeme J. Ackland and
Benedict J. Leimkuhler MIST: a simple and efficient molecular
dynamics abstraction library for
integrator development . . . . . . . . . 224--236
Ioannis G. Tsoulos and
O. T. Kosmas and
V. N. Stavrou DiracSolver: a tool for solving the
Dirac equation . . . . . . . . . . . . . 237--243
L. Campoli and
G. P. Oblapenko and
E. V. Kustova KAPPA: Kinetic approach to physical
processes in atmospheres library in C++ 244--267
Kristian Tòlbòl Sòrensen asasim: Adaptive sampling for
electromagnetic simulations . . . . . . 268--273
Klaus Reuter and
Jürgen Köfinger CADISHI: Fast parallel calculation of
particle-pair distance histograms on
CPUs and GPUs . . . . . . . . . . . . . 274--284
De-Chang Dai and
Cigdem Issever and
Eram Rizvi and
Glenn Starkman and
Dejan Stojkovic and
Jeff Tseng Manual of BlackMax. A black-hole event
generator with rotation, recoil, split
branes, and brane tension. Version 2.02 285--301
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Hiroshi Watanabe and
Koh M. Nakagawa SIMD vectorization for the Lennard-Jones
potential with AVX2 and AVX-512
instructions . . . . . . . . . . . . . . 1--7
Shohiro Sho and
Shinji Odanaka Parallel domain decomposition methods
for a quantum-corrected drift--diffusion
model for MOSFET devices . . . . . . . . 8--16
Saeid Nezamabadi and
Xavier Frank and
Jean-Yves Delenne and
Julien Averseng and
Farhang Radjai Parallel implicit contact algorithm for
soft particle systems . . . . . . . . . 17--25
J. Hawkes and
G. Vaz and
A. B. Phillips and
C. M. Klaij and
S. J. Cox and
S. R. Turnock Chaotic multigrid methods for the
solution of elliptic equations . . . . . 26--36
Takayuki Umeda Multi-step Boris rotation schemes for
Lorentz force equation of charged
particles . . . . . . . . . . . . . . . 37--41
Sergey V. Levchenko and
Matthias Scheffler Compact representation of one-particle
wavefunctions and scalar fields obtained
from electronic-structure calculations 42--46
Hans De Raedt and
Fengping Jin and
Dennis Willsch and
Madita Willsch and
Naoki Yoshioka and
Nobuyasu Ito and
Shengjun Yuan and
Kristel Michielsen Massively parallel quantum computer
simulator, eleven years later . . . . . 47--61
Philipp Basler and
Margarete Mühlleitner BSMPT (Beyond the Standard Model Phase
Transitions): a tool for the electroweak
phase transition in extended Higgs
sectors . . . . . . . . . . . . . . . . 62--85
Mingbo Yuan A predictor--corrector symmetric TVD
scheme for magnetogasdynamic flow . . . 86--97
Oliver T. Schmidt and
Aaron Towne An efficient streaming algorithm for
spectral proper orthogonal decomposition 98--109
Shimin Guo and
Liquan Mei and
Yanren Hou and
Zhengqiang Zhang An efficient finite
difference/Hermite--Galerkin spectral
method for time-fractional coupled
sine-Gordon equations on
multidimensional unbounded domains and
its application in numerical simulations
of vector solitons . . . . . . . . . . . 110--128
Ralf-Arno Tripolt and
Philipp Gubler and
Maksim Ulybyshev and
Lorenz von Smekal Numerical analytic continuation of
Euclidean data . . . . . . . . . . . . . 129--142
Krzysztof Cichy and
Savvas Zafeiropoulos Wilson chiral perturbation theory for
dynamical twisted mass fermions vs
lattice data --- a case study . . . . . 143--153
Marc Olm and
Santiago Badia and
Alberto F. Martín Simulation of High Temperature
Superconductors and experimental
validation . . . . . . . . . . . . . . . 154--167
Daniele Vigan\`o and
David Martínez-Gómez and
José A. Pons and
Carlos Palenzuela and
Federico Carrasco and
Borja Miñano and
Antoni Arbona and
Carles Bona and
Joan Massó A Simflowny-based high-performance $3$D
code for the generalized induction
equation . . . . . . . . . . . . . . . . 168--183
C. Froese Fischer and
G. Gaigalas and
P. Jönsson and
J. Biero\'n GRASP2018 --- a Fortran 95 version of
the General Relativistic Atomic
Structure Package . . . . . . . . . . . 184--187
Hongxia Zheng and
Xinning Yu and
Wanli Lu and
Jack Ng and
Zhifang Lin GCforce: Decomposition of optical force
into gradient and scattering parts . . . 188--198
Tian Qin and
Qi Zhang and
Renata M. Wentzcovitch and
Koichiro Umemoto qha: a Python package for quasiharmonic
free energy calculation for
multi-configuration systems . . . . . . 199--207
Craig Warren and
Antonios Giannopoulos and
Alan Gray and
Iraklis Giannakis and
Alan Patterson and
Laura Wetter and
Andre Hamrah A CUDA-based GPU engine for gprMax: Open
source FDTD electromagnetic simulation
software . . . . . . . . . . . . . . . . 208--218
Adhiraj Dasgupta and
Esteban Gonzalez-Juez and
Daniel C. Haworth Flame simulations with an open-source
code . . . . . . . . . . . . . . . . . . 219--229
Rubén Jesús García-Hernández and
Dieter Kranzlmüller NOMAD VR: Multiplatform virtual reality
viewer for chemistry simulations . . . . 230--237
Julian Gebhardt and
Andrew M. Rappe Big data approach for effective ionic
radii . . . . . . . . . . . . . . . . . 238--243
Santiago Márquez Damián and
Federico Schaumburg and
Pablo A. Kler Open-source toolbox for electromigrative
separations . . . . . . . . . . . . . . 244--252
A. Dobrowolski and
J. Bartel and
K. Pomorski Nuclear mass parameters and moments of
inertia in a folded-Yukawa mean-field
approach . . . . . . . . . . . . . . . . 253--262
Alexander Mirzoev and
Lars Nordenskiöld and
Alexander Lyubartsev Magic v.3: an integrated software
package for systematic structure-based
coarse-graining . . . . . . . . . . . . 263--273
Patrick Avery and
Cormac Toher and
Stefano Curtarolo and
Eva Zurek XtalOpt Version r12: an open-source
evolutionary algorithm for crystal
structure prediction . . . . . . . . . . 274--275
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Jiankai Yu and
Hyunsuk Lee and
Matthieu Lemaire and
Hanjoo Kim and
Peng Zhang and
Deokjung Lee MCS based
neutronics/thermal-hydraulics/fuel-performance coupling with CTF and FRAPCON 1--18
Alberto Ramos Automatic differentiation for error
analysis of Monte Carlo data . . . . . . 19--35
Zhen Xu and
Xiaofeng Yang and
Hui Zhang and
Ziqing Xie Efficient and linear schemes for
anisotropic Cahn--Hilliard model using
the Stabilized-Invariant Energy
Quadratization (S-IEQ) approach . . . . 36--49
Yudong Zhang and
Aiguo Xu and
Guangcai Zhang and
Zhihua Chen and
Pei Wang Discrete Boltzmann method for
non-equilibrium flows: Based on Shakhov
model . . . . . . . . . . . . . . . . . 50--65
Horacio V. Guzman and
Nikita Tretyakov and
Hideki Kobayashi and
Aoife C. Fogarty and
Karsten Kreis and
Jakub Krajniak and
Christoph Junghans and
Kurt Kremer and
Torsten Stuehn ESPResSo++ 2.0: Advanced methods for
multiscale molecular simulation . . . . 66--76
Alejandro Cebrecos and
Dimitri Krattiger and
Victor J. Sánchez-Morcillo and
Vicent Romero-García and
Mahmoud I. Hussein The finite-element time-domain method
for elastic band-structure calculations 77--87
M. Kornyik and
A. Vukics The Monte Carlo wave-function method: a
robust adaptive algorithm and a study in
convergence . . . . . . . . . . . . . . 88--101
P. Lee and
J.-L. Vay Convergence in nonlinear laser wakefield
accelerators modeling in a
Lorentz-boosted frame . . . . . . . . . 102--110
Taylor Haar and
Waseem Kamleh and
James Zanotti and
Yoshifumi Nakamura Single flavour optimisations to Hybrid
Monte Carlo . . . . . . . . . . . . . . 111--123
Anant Raj and
Jacob Eapen Phonon dispersion using the ratio of
zero-time correlations among conjugate
variables: Computing full phonon
dispersion surface of graphene . . . . . 124--137
Chung-Yuan Ren and
Yia-Chung Chang and
Chen-Shiung Hsue Application of van der Waals density
functionals to two dimensional systems
based on a mixed basis approach . . . . 138--144
Matthias Wiesenberger and
Lukas Einkemmer and
Markus Held and
Albert Gutierrez-Milla and
Xavier Sáez and
Roman Iakymchuk Reproducibility, accuracy and
performance of the Feltor code and
library on parallel computer
architectures . . . . . . . . . . . . . 145--156
Artur Chrobak and
Grzegorz Ziólkowski and
Krzysztof Granek and
Dariusz Chrobak Disorder-based cluster Monte Carlo
algorithm and its application in
simulations of magnetization processes 157--164
Radek Fucík and
Jakub Klinkovský and
Jakub Solovský and
Tomás Oberhuber and
Jirí Mikyska Multidimensional mixed-hybrid finite
element method for compositional
two-phase flow in heterogeneous porous
media and its parallel implementation on
GPU . . . . . . . . . . . . . . . . . . 165--180
Yuan Wang and
Xueshang Feng and
Yufen Zhou and
Xinbiao Gan A multi-GPU finite volume solver for
magnetohydrodynamics-based solar wind
simulations . . . . . . . . . . . . . . 181--193
A. Mishchenko and
A. Bottino and
A. Biancalani and
R. Hatzky and
T. Hayward-Schneider and
N. Ohana and
E. Lanti and
S. Brunner and
L. Villard and
M. Borchardt and
R. Kleiber and
A. Könies Pullback scheme implementation in ORB5 194--202
Junfeng Qiao and
Weisheng Zhao Efficient technique for ab-initio
calculation of magnetocrystalline
anisotropy energy . . . . . . . . . . . 203--213
Abdelhak Djouadi and
Jan Kalinowski and
Margarete Mühlleitner and
Michael Spira HDECAY: Twenty++ years after . . . . . . 214--231
E. V. Kahl and
J. C. Berengut \sc AMB$i$T: a programme for
high-precision relativistic atomic
structure calculations . . . . . . . . . 232--243
S. H. Zhang and
Z. H. Fu and
R. F. Zhang ADAIS: Automatic Derivation of
Anisotropic Ideal Strength via
high-throughput first-principles
computations . . . . . . . . . . . . . . 244--253
Piotr T. Róza\'nski and
Michal Zieli\'nski Efficient computation of Coulomb and
exchange integrals for multi-million
atom nanostructures . . . . . . . . . . 254--261
F. Coradeschi and
T. Cridge reSolve --- A transverse momentum
resummation tool . . . . . . . . . . . . 262--294
Honglong Shi and
Minting Luo and
Wenzhong Wang ePDF tools, a processing and analysis
package of the atomic pair distribution
function for electron diffraction . . . 295--301
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Athmane Bakhta and
Sébastien Leclaire and
David Vidal and
François Bertrand and
Mohamed Cheriet Multiscale simulation of ink seepage
into paper: a mesoscopic variational
model . . . . . . . . . . . . . . . . . 1--13
Sergey V. Meleshko Comment on `Symbolic computation of
equivalence transformations and
parameter reduction for nonlinear
physical models' . . . . . . . . . . . . 14--15
Isaac Alonso Asensio and
Alejandro Alvarez Laguna and
Mohamed Hassanine Aissa and
Stefaan Poedts and
Nataly Ozak and
Andrea Lani A GPU-enabled implicit Finite Volume
solver for the ideal two-fluid plasma
model on unstructured grids . . . . . . 16--32
Abele Simona and
Luca Bonaventura and
Thomas Pugnat and
Barbara Dalena High order time integrators for the
simulation of charged particle motion in
magnetic quadrupoles . . . . . . . . . . 33--52
Zhe Ji and
Lin Fu and
Xiangyu Y. Hu and
Nikolaus A. Adams A Lagrangian Inertial Centroidal Voronoi
Particle method for dynamic load
balancing in particle-based simulations 53--63
R. Utamuratov and
D. V. Fursa and
A. S. Kadyrov and
I. Bray Configuration space method to calculate
rearrangement matrix elements . . . . . 64--71
Dominic D. J. Chandar On overset interpolation strategies and
conservation on unstructured grids in
OpenFOAM . . . . . . . . . . . . . . . . 72--83
Synge Todo and
Haruhiko Matsuo and
Hideyuki Shitara Parallel loop cluster quantum Monte
Carlo simulation of quantum magnets
based on global union-find graph
algorithm . . . . . . . . . . . . . . . 84--93
Wanshan Li and
Dong Liang The energy conservative splitting FDTD
scheme and its energy identities for
metamaterial electromagnetic Lorentz
system . . . . . . . . . . . . . . . . . 94--111
Xiufeng Yang and
Song-Charng Kong Adaptive resolution for multiphase
smoothed particle hydrodynamics . . . . 112--125
O. O. Luk and
O. Hoenen and
A. Bottino and
B. D. Scott and
D. P. Coster ComPat framework for multiscale
simulations applied to fusion plasmas 126--133
Rahul Kashyap and
Surajit Sen PULSEDYN --- a dynamical simulation tool
for studying strongly nonlinear chains 134--149
M. Pinto and
P. Gonçalves GUIMesh: a tool to import STEP
geometries into Geant4 via GDML . . . . 150--156
I. V. Grossu and
C. Be\csliu and
Al. Jipa and
D. Felea and
E. Stan and
T. E\csanu Implementation of quark confinement and
retarded interactions algorithms for
Chaos Many-Body Engine . . . . . . . . . 157--160
Rachel Kurchin and
Giuseppe Romano and
Tonio Buonassisi Bayesim: a tool for adaptive grid model
fitting with Bayesian inference . . . . 161--165
Igor Krivenko and
Malte Harland TRIQS/SOM: Implementation of the
stochastic optimization method for
analytic continuation . . . . . . . . . 166--183
Pablo Sánchez-Puga and
Javier Tajuelo and
Juan Manuel Pastor and
Miguel A. Rubio BiconeDrag --- a data processing
application for the oscillating conical
bob interfacial shear rheometer . . . . 184--196
Mitsuaki Kawamura FermiSurfer: Fermi-surface viewer
providing multiple representation
schemes . . . . . . . . . . . . . . . . 197--203
T. Mukha and
S. Rezaeiravesh and
M. Liefvendahl A library for wall-modelled large-eddy
simulation based on OpenFOAM technology 204--224
J. Morán and
A. Fuentes and
F. Liu and
J. Yon FracVAL: an improved tunable algorithm
of cluster-cluster aggregation for
generation of fractal structures formed
by polydisperse primary particles . . . 225--237
A. Arbey and
F. Mahmoudi and
G. Robbins SuperIso Relic v4: a program for
calculating dark matter and flavour
physics observables in supersymmetry . . 238--264
Calogero B. Rizzo and
Aiichiro Nakano and
Felipe P. J. de Barros PAR 2: Parallel Random Walk Particle
Tracking Method for solute transport in
porous media . . . . . . . . . . . . . . 265--271
Peter S. Bingham and
Jimena D. Gorfinkiel reskit: a toolkit to determine the poles
of an $S$-matrix . . . . . . . . . . . . 272--282
Tom-Robin Teschner and
László Könözsy and
Karl W. Jenkins A generalised and low-dissipative
multi-directional characteristics-based
scheme with inclusion of the local
Riemann problem investigating
incompressible flows without
free-surfaces . . . . . . . . . . . . . 283--310
Florent Hédin and
Tony Leli\`evre gen.parRep: a first implementation of
the Generalized Parallel Replica
dynamics for the long time simulation of
metastable biochemical systems . . . . . 311--324
Anonymous Board . . . . . . . . . . . . . . . . . ii--ii
Stephan Fritzsche A fresh computational approach to atomic
structures, processes and cascades . . . 1--14
Sean Benson and
Konstantin Gizdov NNDrone: a toolkit for the mass
application of machine learning in High
Energy Physics . . . . . . . . . . . . . 15--20
Weile Jia and
Lin Lin Fast real-time time-dependent hybrid
functional calculations with the
parallel transport gauge and the
adaptively compressed exchange
formulation . . . . . . . . . . . . . . 21--29
Guillaume St-Onge and
Jean-Gabriel Young and
Laurent Hébert-Dufresne and
Louis J. Dubé Efficient sampling of spreading
processes on complex networks using a
composition and rejection algorithm . . 30--37
Stefan Chmiela and
Huziel E. Sauceda and
Igor Poltavsky and
Klaus-Robert Müller and
Alexandre Tkatchenko sGDML: Constructing accurate and data
efficient molecular force fields using
machine learning . . . . . . . . . . . . 38--45
Tim Verbrugghe and
J. M. Dom\'ìnguez and
Corrado Altomare and
Angelantonio Tafuni and
Renato Vacondio and
Peter Troch and
Andreas Kortenhaus Non-linear wave generation and
absorption using open boundaries within
DualSPHysics . . . . . . . . . . . . . . 46--59
S. H. Zhang and
D. Legut and
R. F. Zhang PNADIS: an automated Peierls--Nabarro
analyzer for dislocation core structure
and slip resistance . . . . . . . . . . 60--73
Ramavarmaraja Kishor Kumar and
Vladimir Loncar and
Paulsamy Muruganandam and
Sadhan K. Adhikari and
Antun Balaz C and Fortran OpenMP programs for
rotating Bose--Einstein condensates . . 74--82
R. Sato and
S. Kawata and
T. Karino and
K. Uchibori and
T. Iinuma and
H. Katoh and
A. I. Ogoyski Code O-SUKI: Simulation of direct-drive
fuel target implosion in heavy ion
inertial fusion . . . . . . . . . . . . 83--100
Meisam Farzalipour Tabriz and
Bálint Aradi and
Thomas Frauenheim and
Peter Deák SLABCC: Total energy correction code for
charged periodic slab models . . . . . . 101--105
Gianluca Prandini and
Mario Galante and
Nicola Marzari and
Paolo Umari SIMPLE code: Optical properties with
optimal basis functions . . . . . . . . 106--119
S. Borowka and
G. Heinrich and
S. Jahn and
S. P. Jones and
M. Kerner and
J. Schlenk A GPU compatible quasi-Monte Carlo
integrator interfaced to pySecDec . . . 120--137
Thanh-Xuan H. Cao and
Duy-Nhat Ly and
Ngoc-Tram D. Hoang and
Van-Hoang Le High-accuracy numerical calculations of
the bound states of a hydrogen atom in a
constant magnetic field with arbitrary
strength . . . . . . . . . . . . . . . . 138--151
L. Hayen and
N. Severijns Beta Spectrum Generator: High precision
allowed $ \beta $ spectrum shapes . . . 152--164
Francesc Salvat and
José M. Fernández-Varea radial: a Fortran subroutine package for
the solution of the radial Schrödinger
and Dirac wave equations . . . . . . . . 165--177
Jerzy Goraus Non-linear least squares fit of specific
heat data within the Schotte--Schotte
model using web page . . . . . . . . . . 178--180
Naoya Chikano and
Kazuyoshi Yoshimi and
Junya Otsuki and
Hiroshi Shinaoka irbasis: Open-source database and
software for intermediate-representation
basis functions of imaginary-time
Green's function . . . . . . . . . . . . 181--188
J. Ablinger and
J. Blümlein and
M. Round and
C. Schneider Numerical implementation of harmonic
polylogarithms to weight $ w = 8 $ . . . 189--201
P. Arthuis and
T. Duguet and
A. Tichai and
R.-D. Lasseri and
J.-P. Ebran ADG: Automated generation and evaluation
of many-body diagrams I. Bogoliubov
many-body perturbation theory . . . . . 202--227
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Jeremy M. Hutson and
C. Ruth Le Sueur bound and field: Programs for
calculating bound states of interacting
pairs of atoms and molecules . . . . . . 1--8
Jeremy M. Hutson and
C. Ruth Le Sueur molscat: a program for non-reactive
quantum scattering calculations on
atomic and molecular collisions . . . . 9--18
Jianyuan Xiao and
Hong Qin Explicit high-order gauge-independent
symplectic algorithms for relativistic
charged particle dynamics . . . . . . . 19--27
Olga Klimenkova and
Anton Yu. Menshutin and
Lev N. Shchur Variable-step-length algorithms for a
random walk: Hitting probability and
computation performance . . . . . . . . 28--32
Jianqing Huang and
Jianan Zhao and
Weiwei Cai Compressing convolutional neural
networks using POD for the
reconstruction of nonlinear tomographic
absorption spectroscopy . . . . . . . . 33--39
Pavel Aleynikov and
Nikolai B. Marushchenko $3$D full-wave computation of RF modes
in magnetised plasmas . . . . . . . . . 40--47
S. T. R. Pinho and
V. A. G. O. de Meneses and
M. S. P. Muniz and
T. C. Petit Lobao An algorithm for periodicity and almost
periodicity of uniform substitution
sequences and its implications on
aperiodic spin models . . . . . . . . . 48--55
Motohiko Tanaka and
Masakatsu Murakami Relativistic and electromagnetic
molecular dynamics simulations for a
carbon--gold nanotube accelerator . . . 56--63
Suman Baral and
Travis Whyte and
Walter Wilcox and
Ronald B. Morgan Disconnected loop subtraction methods in
lattice QCD . . . . . . . . . . . . . . 64--79
Trung Dac Nguyen and
Honghao Li and
Debarshee Bagchi and
Francisco J. Solis and
Monica Olvera de la Cruz Incorporating surface polarization
effects into large-scale coarse-grained
Molecular Dynamics simulation . . . . . 80--91
Daiki Adachi and
Naoto Tsujimoto and
Ryosuke Akashi and
Synge Todo and
Shinji Tsuneyuki Search for common minima in joint
optimization of multiple cost functions 92--97
D. Blyth and
J. Alcaraz and
S. Binet and
S. V. Chekanov ProIO: an event-based I/O stream format
for protobuf messages . . . . . . . . . 98--112
Andrew Gloster and
Lennon Ó Náraigh and
Khang Ee Pang cuPentBatch --- a batched pentadiagonal
solver for NVIDIA GPUs . . . . . . . . . 113--121
Roberto Bonciani and
Giuseppe Degrassi and
Pier Paolo Giardino and
Ramona Gröber A numerical routine for the crossed
vertex diagram with a massive-particle
loop . . . . . . . . . . . . . . . . . . 122--131
Florian Staub xSLHA: an Les Houches Accord reader for
Python and Mathematica . . . . . . . . . 132--138
J. Bartel and
B. Nerlo-Pomorska and
K. Pomorski and
A. Dobrowolski Transport coefficients in the Fourier
shape parametrization . . . . . . . . . 139--145
Gang Li and
Anna Kauch and
Petra Pudleiner and
Karsten Held The \em victory project v1.0: an
efficient parquet equations solver . . . 146--154
Pietro Incardona and
Antonio Leo and
Yaroslav Zaluzhnyi and
Rajesh Ramaswamy and
Ivo F. Sbalzarini OpenFPM: a scalable open framework for
particle and particle-mesh codes on
parallel computers . . . . . . . . . . . 155--177
Martin Kröger Efficient hybrid algorithm for the
dynamic creation of wormlike chains in
solutions, brushes, melts and glasses 178--179
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Ray Vandenhoeck and
Andrea Lani Implicit high-order flux reconstruction
solver for high-speed compressible flows 1--24
Anonymous Real-time data processing in the ALICE
High Level Trigger at the LHC . . . . . 25--48
Davide Terzani and
Pasquale Londrillo A fast and accurate numerical
implementation of the envelope model for
laser-plasma dynamics . . . . . . . . . 49--59
T. Weyens and
J. M. Reynolds-Barredo and
A. Loarte Computationally advantageous expressions
for $3$-D MHD stability . . . . . . . . 60--71
Zongliang Dai and
Yingfeng Xu and
Lei Ye and
Xiaotao Xiao and
Shaojie Wang Gyrokinetic simulation of ITG turbulence
with toroidal geometry including the
magnetic axis by using field-aligned
coordinates . . . . . . . . . . . . . . 72--82
Paul Bartholomew and
Sylvain Laizet A new highly scalable, high-order
accurate framework for variable-density
flows: Application to non-Boussinesq
gravity currents . . . . . . . . . . . . 83--94
Kyuhyun Lee and
Dongsun Yoo and
Wonseok Jeong and
Seungwu Han SIMPLE-NN: an efficient package for
training and executing neural-network
interatomic potentials . . . . . . . . . 95--103
Marcelo Marucho A Java application to characterize
biomolecules and nanomaterials in
electrolyte aqueous solutions . . . . . 104--119
Adam Green and
Philip Tanedo DarkCapPy: Dark matter capture and
annihilation . . . . . . . . . . . . . . 120--131
Mario Dunsch and
Jan Soedingrekso and
Alexander Sandrock and
Maximilian Meier and
Thorben Menne and
Wolfgang Rhode Recent improvements for the lepton
propagator PROPOSAL . . . . . . . . . . 132--144
N. Avidor and
P. S. M. Townsend and
D. J. Ward and
A. P. Jardine and
J. Ellis and
W. Allison PIGLE --- Particles Interacting in
Generalized Langevin Equation simulator 145--152
I. I. Gontchar and
M. V. Chushnyakova and
N. A. Khmyrova DFMSPH19: a C-code for the double
folding interaction potential of two
spherical nuclei . . . . . . . . . . . . 153--155
Peter Hakel FESTR: Finite-Element Spectral Transfer
of Radiation spectroscopic modeling and
analysis code (New Version Announcement) 156--157
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Feng Qu and
Di Sun and
Junqiang Bai A new genuinely two-dimensional Riemann
solver for multidimensional Euler and
Navier--Stokes Equations . . . . . . . . 1--11
Trung Dac Nguyen and
Steven J. Plimpton Aspherical particle models for molecular
dynamics simulation . . . . . . . . . . 12--24
N. A. W. Holzwarth Updated comments on projector augmented
wave (PAW) implementations within
various electronic structure code
packages . . . . . . . . . . . . . . . . 25--29
Juan de Anda-Suárez and
Solai Jeyakumar and
Mart\'ìn Carpio and
Héctor J. Puga and
Alfonso Rojas-Dom\'ìnguez and
Laura Cruz-Reyes and
Juan F. Mosiño Parameter optimization for the
smoothed-particle hydrodynamics method
by means of evolutionary metaheuristics 30--40
S. Pamela and
G. Huijsmans and
A. J. Thornton and
A. Kirk and
S. F. Smith and
M. Hoelzl and
T. Eich A wall-aligned grid generator for
non-linear simulations of MHD
instabilities in tokamak plasmas . . . . 41--50
Jun Zhang and
Xiaofeng Yang Numerical approximations for a new $ L_2
$ -gradient flow based phase field
crystal model with precise nonlocal mass
conservation . . . . . . . . . . . . . . 51--67
Lijie Mei and
Li Huang and
Xinyuan Wu and
Shixiang Huang Semi-analytical exponential RKN
integrators for efficiently solving
high-dimensional nonlinear wave
equations based on FFT techniques . . . 68--80
Hao Wu and
Peter C. Ma and
Matthias Ihme Efficient time-stepping techniques for
simulating turbulent reactive flows with
stiff chemistry . . . . . . . . . . . . 81--96
E. Luján and
M. S. Rosito and
A. Soba and
C. Suárez LibreGrowth: a tumor growth code based
on reaction--diffusion equations using
shared memory . . . . . . . . . . . . . 97--105
Everest Law Identifying clusters on a discrete
periodic lattice via machine learning 106--109
Z. Zhang and
D.-B. Zhang and
T. Sun and
R. M. Wentzcovitch phq: a Fortran code to compute phonon
quasiparticle properties and dispersions 110--120
Stéphane Balac WGMode: a Matlab toolbox for whispering
gallery modes volume computation in
spherical optical micro-resonators . . . 121--134
J. J. Sòrensen and
J. H. M. Jensen and
T. Heinzel and
J. F. Sherson QEngine: a C++ library for quantum
optimal control of ultracold atoms . . . 135--150
Y. L. Wang and
G. Fabbris and
M. P. M. Dean and
G. Kotliar EDRIXS: an open source toolkit for
simulating spectra of resonant inelastic
X-ray scattering . . . . . . . . . . . . 151--165
Honglong Shi and
Minting Luo and
Wenzhong Wang ElectronDiffraction tools, a
DigitalMicrograph package for electron
diffraction analysis . . . . . . . . . . 166--173
Anonymous Editorial Board . . . . . . . . . . . . ii--ii
Stan Scott Obituary: Philip George Burke 1932--2019 1--1
Haijian Yang and
Shuyu Sun and
Yiteng Li and
Chao Yang Parallel reservoir simulators for fully
implicit complementarity formulation of
multicomponent compressible flows . . . 2--12
Wenjin Gou and
Shuai Zhang and
Yao Zheng Implementation of the moving particle
semi-implicit method for free-surface
flows on GPU clusters . . . . . . . . . 13--24
Haithem Kallala and
Jean-Luc Vay and
Henri Vincenti A generalized massively parallel
ultra-high order FFT-based Maxwell
solver . . . . . . . . . . . . . . . . . 25--34
Mark F. Adams and
Stephen L. Cornford and
Daniel F. Martin and
Peter McCorquodale Composite matrix construction for
structured grid adaptive mesh refinement 35--39
Yingfeng Xu and
Wenfeng Guo and
Youjun Hu and
Lei Ye and
Xiaotao Xiao and
Shaojie Wang Monte Carlo orbit-following simulations
including the finite Larmor radius
effect based on a phase-space coordinate
transform method . . . . . . . . . . . . 40--48
A. Bierwage and
T. Zh. Esirkepov and
J. K. Koga and
A. S. Pirozhkov Similarity of magnetized plasma wake
channels behind relativistic laser
pulses with different wavelengths . . . 49--68
C. M. Maynard and
D. N. Walters Mixed-precision arithmetic in the
ENDGame dynamical core of the Unified
Model, a numerical weather prediction
and climate model code . . . . . . . . . 69--75
Sebastian Eibl and
Ulrich Rüde A systematic comparison of runtime load
balancing algorithms for massively
parallel rigid particle dynamics . . . . 76--85
A. I. Kozynchenko and
S. A. Kozynchenko and
A. D. Ovsyannikov Development of the C++ three-dimensional
reference simulation model of the
wedge-shaped beam dynamics . . . . . . . 86--96
Shuyao Hu and
Chongwen Jiang and
Zhenxun Gao and
Chun-Hian Lee Zonal disturbance region update method
for steady compressible viscous flows 97--116
Lin Fu A very-high-order TENO scheme for
all-speed gas dynamics and turbulence 117--131
Hadi Zolfaghari and
Barna Becsek and
Maria G. C. Nestola and
William B. Sawyer and
Rolf Krause and
Dominik Obrist High-order accurate simulation of
incompressible turbulent flows on many
parallel GPUs of a hybrid-node
supercomputer . . . . . . . . . . . . . 132--142
Lukas Hörmann and
Andreas Jeindl and
Alexander T. Egger and
Michael Scherbela and
Oliver T. Hofmann SAMPLE: Surface structure search enabled
by coarse graining and statistical
learning . . . . . . . . . . . . . . . . 143--155
Maarten L. Van de Put and
Massimo V. Fischetti and
William G. Vandenberghe Scalable atomistic simulations of
quantum electron transport using
empirical pseudopotentials . . . . . . . 156--169
Pablo de Castro and
Tommaso Dorigo INFERNO: Inference-Aware Neural
Optimisation . . . . . . . . . . . . . . 170--179
Sondre Vik Furuseth and
Xavier Buffat Parallel high-performance multi-beam
multi-bunch simulations . . . . . . . . 180--186
J. C. Heylmun and
B. Kong and
A. Passalacqua and
R. O. Fox A quadrature-based moment method for
polydisperse bubbly flows . . . . . . . 187--204
J.-F. Mennemann and
T. Langen and
L. Exl and
N. J. Mauser Optimal control of the self-bound
dipolar droplet formation process . . . 205--216
Li Guang Jiao and
Li Rong Zan and
Lin Zhu and
Jia Ma and
Yew Kam Ho Accurate computation of screened Coulomb
potential integrals in numerical
Hartree--Fock programs . . . . . . . . . 217--227
R. Vitolo Computing with Hamiltonian operators . . 228--245
A. Beck and
J. Derouillat and
M. Lobet and
A. Farjallah and
F. Massimo and
I. Zemzemi and
F. Perez and
T. Vinci and
M. Grech Adaptive SIMD optimizations in
particle-in-cell codes with fine-grain
particle sorting . . . . . . . . . . . . 246--263
Takahiro Yamasaki and
Akiyoshi Kuroda and
Toshihiro Kato and
Jun Nara and
Junichiro Koga and
Tsuyoshi Uda and
Kazuo Minami and
Takahisa Ohno Multi-axis decomposition of density
functional program for strong scaling up
to 82,944 nodes on the K computer:
Compactly folded $3$D-FFT communicators
in the $6$D torus network . . . . . . . 264--276
Sangkook Choi and
Patrick Semon and
Byungkyun Kang and
Andrey Kutepov and
Gabriel Kotliar ComDMFT: a massively parallel computer
package for the electronic structure of
correlated-electron systems . . . . . . 277--294
Volodymyr Vovchenko and
Horst Stoecker Thermal-FIST: a package for heavy-ion
collisions and hadronic equation of
state . . . . . . . . . . . . . . . . . 295--310
Zhiwei Ren and
Lichuan Jin and
Tianlong Wen and
Yulong Liao and
Xiaoli Tang and
Huaiwu Zhang and
Zhiyong Zhong MuFA (Multi-type Fourier Analyzer): a
tool for batch generation of MuMax3
input scripts and multi-type Fourier
analysis from micromagnetic simulation
output data . . . . . . . . . . . . . . 311--318
Kazuyoshi Yoshimi and
Junya Otsuki and
Yuichi Motoyama and
Masayuki Ohzeki and
Hiroshi Shinaoka SpM: Sparse modeling tool for analytic
continuation of imaginary-time Green's
function . . . . . . . . . . . . . . . . 319--323
Dab Brill and
Jason B. Giles and
Ian S. Haworth and
Aiichiro Nakano WaterAlignment: Identification of
displaced water molecules in molecular
docking using Jonker and Volgenant
shortest path augmentation for linear
assignment . . . . . . . . . . . . . . . 324--328
J. Buckeridge Equilibrium point defect and charge
carrier concentrations in a material
determined through calculation of the
self-consistent Fermi energy . . . . . . 329--342
Hua-sheng Xie BO: a unified tool for plasma waves and
instabilities analysis . . . . . . . . . 343--371
Noritaka Shimizu and
Takahiro Mizusaki and
Yutaka Utsuno and
Yusuke Tsunoda Thick-restart block Lanczos method for
large-scale shell-model calculations . . 372--384
Farbod Mahmoudinobar and
Cristiano L. Dias GRADE: a code to determine clathrate
hydrate structures . . . . . . . . . . . 385--391
Peter H. Jacobse MathemaTB: a Mathematica package for
tight-binding calculations . . . . . . . 392--408
Joel Oredsson 2HDME: Two-Higgs-Doublet Model Evolver 409--426
Minjung Kim and
Subhasish Mandal and
Eric Mikida and
Kavitha Chandrasekar and
Eric Bohm and
Nikhil Jain and
Qi Li and
Raghavendra Kanakagiri and
Glenn J. Martyna and
Laxmikant Kale and
Sohrab Ismail-Beigi Scalable GW software for quasiparticle
properties using OpenAtom . . . . . . . 427--441
Daniel Langr and
Tomás Dytrych and
Jerry P. Draayer and
Kristina D. Launey and
Pavel Tvrdík Efficient algorithm for representations
of $ {\rm U}(3) $ in $ {\rm U}(N) $ . . 442--447
Peter Athron and
Csaba Balázs and
Michael Bardsley and
Andrew Fowlie and
Dylan Harries and
Graham White Bubbleprofiler: Finding the field
profile and action for cosmological
phase transitions . . . . . . . . . . . 448--468
Sam Hewitt and
Lee Margetts and
Alistair Revell and
Pankaj Pankaj and
Francesc Levrero-Florencio OpenFPCI: a parallel fluid-structure
interaction framework . . . . . . . . . 469--482
Reuben D. Budiardja and
Christian Y. Cardall GenASiS Basics: Object-oriented
utilitarian functionality for
large-scale physics simulations (Version
3) . . . . . . . . . . . . . . . . . . . 483--486
Andrzej Daniluk RHEED intensities from two-dimensional
heteroepitaxial nanoscale systems of GaN
on AlN($ 0 \, 0 \, 0 \, 1$) and AlN($ 0
\, 0 \, 0 \, \bar {1}$) surfaces . . . . 487--489
Anonymous Editorial Board . . . . . . . . . . . . Article 106887
Tsung-Ming Huang and
Wen-Wei Lin and
Hsinhan Tsai and
Weichung Wang Highly efficient GPU eigensolver for
three-dimensional photonic crystal band
structures with any Bravais lattice . . Article 106841
Lizhen Chen and
Jun Zhang and
Jia Zhao and
Waixiang Cao and
Hong Wang and
Jiwei Zhang An accurate and efficient algorithm for
the time-fractional molecular beam
epitaxy model with slope selection . . . Article 106842
Jun Zhang and
Xiaofeng Yang Efficient second order unconditionally
stable time marching numerical scheme
for a modified phase-field crystal model
with a strong nonlinear vacancy
potential . . . . . . . . . . . . . . . Article 106860
Lianhua Zhu and
Peng Wang and
Songze Chen and
Zhaoli Guo and
Yonghao Zhang GPU acceleration of an iterative scheme
for gas-kinetic model equations with
memory reduction techniques . . . . . . Article 106861
J. Teunissen and
R. Keppens A geometric multigrid library for
quadtree/octree AMR grids coupled to
MPI-AMRVAC . . . . . . . . . . . . . . . Article 106866
H. M. Blackburn and
D. Lee and
T. Albrecht and
J. Singh Semtex: a spectral element-Fourier
solver for the incompressible
Navier--Stokes equations in cylindrical
or Cartesian coordinates . . . . . . . . Article 106804
Jeppe R. Andersen and
Tuomas Hapola and
Marian Heil and
Andreas Maier and
Jennifer Smillie HEJ 2: High energy resummation for
hadron colliders . . . . . . . . . . . . Article 106832
M. Kachelrieß and
I. V. Moskalenko and
S. Ostapchenko AAfrag: Interpolation routines for Monte
Carlo results on secondary production in
proton--proton, proton--nucleus and
nucleus--nucleus interactions . . . . . Article 106846
Anna Galler and
Patrik Thunström and
Josef Kaufmann and
Matthias Pickem and
Jan M. Tomczaka and
Karsten Held The AbinitioD $ \Gamma $ A Project v1.0:
Non-local correlations beyond and
susceptibilities within dynamical
mean-field theory . . . . . . . . . . . Article 106847
E. García-Toraño and
V. Peyres and
F. Salvat PenNuc: Monte Carlo simulation of the
decay of radionuclides . . . . . . . . . Article 106849
Piotr Bozek and
Wojciech Broniowski and
Maciej Rybczy\'nski and
Grzegorz Stefanek GLISSANDO 3: GLauber Initial-State
Simulation AND mOre, ver. 403 . . . . . Article 106850
Joaquín López and
Julio Hernández and
Pablo Gómez and
Claudio Zanzi and
Rosendo Zamora VOFTools 3.2: Added VOF functionality to
initialize the liquid volume fraction in
general convex cells . . . . . . . . . . Article 106859
Nikolay D. Gagunashvili and
Helgi Halldorsson and
Helmut Neukirchen CHICOM: Code for comparing weighted or
unweighted histograms in Fortran-77,
C++, R and Python . . . . . . . . . . . Article 106872
B. C. Allanach and
P. Athron and
Lewis C. Tunstall and
A. Voigt and
A. G. Williams Corrigendum to ``Next-to-Minimal
SOFTSUSY'' [Comput. Phys. Comm. \bf 185
(2014) 2322--2339] (New Version
Announcement) . . . . . . . . . . . . . Article 107044
Tamás Szidarovszky and
Maho Jono and
Kaoru Yamanouchi Erratum to ``LIMAO: Cross-platform
software for simulating laser-induced
alignment and orientation dynamics of
linear-, symmetric- and asymmetric
tops'' [Comput. Phys. Comm. \bf 228
(2018) 219--228] . . . . . . . . . . . . Article 107106
Anonymous Corrigendum to ``Bratu's problem: a
novel approach using fixed-point
iterations and Green's function''
[Comput. Phys. Comm. \bf 198 (2016)
97--104] . . . . . . . . . . . . . . . . Article 107132
Ruyun Chen and
Juan Chen and
Xuesong Kuang Comment on `Symbolic integration of a
product of two spherical Bessel
functions with an additional exponential
and polynomial factor' by B.
Gebremariam, T. Duguet and S. K. Bogner Article 108498
Gleb Beliakov and
Michael Johnstone and
Doug Creighton and
Tim Wilkin An efficient implementation of Bailey
and Borwein's algorithm for parallel
random number generation on graphics
processing units . . . . . . . . . . . . 309--326