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ORCIDComputer Physics Communications, Volume 185
Volume 185, Number 1, January 2014
- Venera Khoromskaia, Boris N. Khoromskij:
Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals. 2-10
- Miguel Cárdenas-Montes
, Miguel A. Vega-Rodríguez, Christopher Bonnett, Ignacio Sevilla-Noarbe, Rafael Ponce, Eusebio Sánchez Álvaro, Juan José Rodríguez-Vázquez:
GPU-based shear-shear correlation calculation. 11-18 - Xiaopeng Luo, Zhenzhou Lu, Xin Xu:
A fast computational method for moment-independent uncertainty importance measure. 19-27 - Zheyong Fan, Andreas Uppstu, Topi Siro, Ari Harju:
Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene. 28-39 - René Hammer, Walter Pötz:
Staggered grid leap-frog scheme for the (2+1) D Dirac equation. 40-52 - Xin Bian, Marco Ellero:
A splitting integration scheme for the SPH simulation of concentrated particle suspensions. 53-62 - Zhenlin Guo, Ping Lin, Yangfan Wang:
Continuous finite element schemes for a phase field model in two-layer fluid Bénard-Marangoni convection computations. 63-78 - Akira Kageyama, Tomoki Yamada:
An approach to exascale visualization: Interactive viewing of in-situ visualization. 79-85 - A. Perona, D. Borgogno, Lars-Goran Eriksson:
A test electron model for the study of three dimensional magnetic reconnection effects. 86-95 - Wenjun Deng, Guo-Yong Fu:
Optimization by marker removal for δf particle simulations. 96-105 - Rooholah Abedian, Hojatollah Adibi, Mehdi Dehghan:
A high-order symmetrical weighted hybrid ENO-flux limiter scheme for hyperbolic conservation laws. 106-127 - Jonathan Squire, Joshua W. Burby, Hong Qin:
VEST: Abstract vector calculus simplification in Mathematica. 128-135 - Edgar A. Gómez, Saravana Prakash Thirumuruganandham, Alejandro Santana:
Split-operator technique for propagating phase space functions: Exploring chaotic, dissipative and relativistic dynamics. 136-143 - Un-Hong Wong, Hon-Cheng Wong, Yonghui Ma:
Global magnetohydrodynamic simulations on multiple GPUs. 144-152 - Truong Vinh Truong Duy, Taisuke Ozaki:
A decomposition method with minimum communication amount for parallelization of multi-dimensional FFTs. 153-164 - Nikolai B. Marushchenko, Y. Turkin, 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, 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. J. Eder, András Vernes, G. Betz:
Methods and numerical aspects of nanoscopic contact area estimation in atomistic tribological simulations. 217-228 - Nhan Phan-Thien, Nam Mai-Duy, Dingyi Pan, B. C. Khoo:
Exponential-time differencing schemes for low-mass DPD systems. 229-235
- V. P. Druzhinin, L. V. Kardapoltsev, V. A. Tayursky:
GGRESRC: A Monte Carlo generator for the two-photon process e+e-→e+e-R(JPC=0-+) in the single-tag mode. 236-243 - Daniel X. Ogburn, Colin L. Waters, Murray D. Sciffer, Jeff A. Hogan, Paul C. Abbott:
A finite difference construction of the spheroidal wave functions. 244-253 - Kristina D. Launey, S. Sarbadhicary, Tomás Dytrych, Jerry 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, Graham M. Gibson, Anna Linnenberger, David B. Phillips, James A. Grieve, David M. Carberry, Steven Serati, Mervyn J. Miles, Miles J. Padgett:
"Red Tweezers": Fast, customisable hologram generation for optical tweezers. 268-273 - Eduardo X. Miqueles, Tiago A. Coimbra, Bruno D. Amaro, J. J. S. de Figueiredo:
Analytical ray tracing system: Introducing art, a C-library designed for seismic applications. 274-293 - Aaron M. Tagliaboschi, Jeremy B. Maddox:
POTLIB2Math: A Mathematica interface to the potential energy surface library for chemical systems. 294-301 - Soubhadra Sen, N. Mohankumar:
Migpore, a code package for the estimation of migration of radioactive species in a porous medium. 302-306 - J. Avellar, L. G. S. Duarte, 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:
carlomat, version 2 of the program for automatic computation of lowest order cross sections. 323-329 - John Buckeridge, David O. Scanlon, Aron Walsh, C. Richard 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, Frank Filsinger, Boris G. Sartakov, 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 - Aassim A. Azooz, Y. A. Al-Jawaady, Z. T. Ali:
Langmuir probe RF plasma compensation using a simulation method. 350-356 - Qian Miao, Yun-Hu Wang, Yong Chen, 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. Correa Silva, G. A. Monerat, G. de Oliveira Neto, 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, Héctor Jorquera:
IDSOLVER: A general purpose solver for nth-order integro-differential equations. 392-397 - M. F. Ciappina, José Antonio Pérez-Hernández, Maciej Lewenstein:
ClassSTRONG: Classical simulations of strong field processes. 398-406 - Claude M. Dion, A. Hashemloo, 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, Dmitri Volja, Boris Kozinsky, Marco Fornari, 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, J. Carminati:
FracSym: Automated symbolic computation of Lie symmetries of fractional differential equations. 430-441
- Erhan Okuyan, Ugur Güdükbay:
BilKristal 2.0: A tool for pattern information extraction from crystal structures. 442-443
Volume 185, Number 2, February 2014
- Uday K. Khankhoje, Thomas A. Cwik:
A mesh reconfiguration scheme for speeding up Monte Carlo simulations of electromagnetic scattering by random rough surfaces. 445-447 - Nicolas Crouseilles, Giovanni Manfredi:
Asymptotic preserving schemes for the Wigner-Poisson-BGK equations in the diffusion limit. 448-458 - Yunbao Huang, Shaoen Jiang, Haiyan Li, Qifu Wang, Liping Chen:
Compressive analysis applied to radiation symmetry evaluation and optimization for laser-driven inertial confinement fusion. 459-471 - David Greynat, Javier Sesma:
A new approach to the epsilon expansion of generalized hypergeometric functions. 472-478 - Ghislain Tchuen, Ferdinand Fogang, Yves Burtschell, Paul Woafo:
A hybrid numerical method and its application to inviscid compressible flow problems. 479-488 - Tian Qiu, Teng-Yue Han, Li-Xin Zhong, Zi-Ke Zhang, Guang Chen:
Redundant correlation effect on personalized recommendation. 489-494 - Elmar Westphal, S. P. Singh, C.-C. Huang, Gerhard Gompper, Roland 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, 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 Grønbech-Jensen, Natha Robert Hayre, Oded Farago:
Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations. 524-527 - Maik Höschele, Jens Hoff, Alexey Pak, Matthias Steinhauser, Takahiro Ueda:
MT: A Mathematica package to compute convolutions. 528-539 - Michele Tuttafesta, A. D'Angola, Annarita Laricchiuta, P. Minelli, Mario Capitelli, Gianpiero Colonna:
GPU and Multi-core based Reaction Ensemble Monte Carlo method for non-ideal thermodynamic systems. 540-549 - Marco Baity-Jesi, Rachel A. Baños, Andrés Cruz Flor, Luis Antonio Fernández, José Miguel Gil-Narvión, Antonio Gordillo-Guerrero, David Iñiguez, Andrea Maiorano, Filippo Mantovani, Enzo Marinari, Victor Martin-Mayor, Jorge Monforte-Garcia, Antonio Munoz Sudupe, Denis Navarro, Giorgio Parisi, Sergio Perez Gaviro, Marcello Pivanti, Federico Ricci-Tersenghi, Juan Jesus Ruiz-Lorenzo, Sebastiano Fabio Schifano, Beatriz Seoane, Alfonso Tarancón, Raffaele Tripiccione, David Yllanes:
Janus II: A new generation application-driven computer for spin-system simulations. 550-559 - Simone Alioli, Simon Badger, J. Bellm, Benedikt Biedermann, Fawzi Boudjema, Gavin Cullen, Ansgar Denner, H. van Deurzen, Stefan Dittmaier, R. Frederix, S. Frixione, M. V. Garzelli, S. Gieseke, E. W. N. Glover, Nicolas Greiner, Gudrun Heinrich, Valentin Hirschi, S. Höche, J. Huston, H. Ita, Nikolas Kauer, Frank Krauss, G. Luisoni, D. Maître, Fabio Maltoni, Paolo Nason, Carlo Oleari, R. Pittau, S. Plätzer, Stefano Pozzorini, Laura Reina, Christian Reuschle, Tania Robens, J. Schlenk, M. Schönherr, F. Siegert, J. F. von Soden-Fraunhofen, F. Tackmann, Francesco Tramontano, Peter Uwer, Gavin Salam, Peter Skands, Stefan Weinzierl, J. Winter, Valery Yundin, Giulia Zanderighi, Marco 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, Tsung-Lin Lee:
Tracking local optimality for cost parameterized optimization problems. 572-577 - J. M. TenBarge, Gregory G. Howes, William Dorland, Gregory W. Hammett:
An oscillating Langevin antenna for driving plasma turbulence simulations. 578-589 - Lars Josef Höök, T. Johnson:
Composition schemes for the stochastic differential equation describing collisional pitch-angle diffusion. 590-594 - Antonio Souto-Iglesias, Fabricio Macià, Leo M. González, Jose L. Cercos-Pita:
Addendum to "On the consistency of MPS" [Comput. Phys. Comm. 184 (3) (2013) 732-745]. 595-598
- Igor M. Sitnik:
Development of the FUMILI minimization package. 599-603 - Gareth A. Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni, Giovanni Bussi:
PLUMED 2: New feathers for an old bird. 604-613 - Christoph Schimeczek, Günter Wunner:
Accurate 2d 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 - Antonio Bueno, A. Gascón:
CORSIKA implementation of heavy quark production and propagation in extensive air showers. 638-650 - Daniel Schick, A. Bojahr, M. Herzog, R. Shayduk, C. von Korff Schmising, M. Bargheer:
udkm1Dsim - A simulation toolkit for 1D ultrafast dynamics in condensed matter. 651-660 - S. Rama, C. Surendra Dilip, 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, Monica Leopoldini:
MolSOC: A spin-orbit coupling code. 676-683 - David A. Bonhommeau, Marie-Pierre Gaigeot:
MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters. 684-694
- M. D. J. Hollis, M. Tessenyi, Giovanna Tinetti:
tau: A 1D radiative transfer code for transmission spectroscopy of extrasolar planet atmospheres. 695
Volume 185, Number 3, March 2014
- Ianik Plante, Luc Devroye, Francis A. Cucinotta:
Calculations of distance distributions and probabilities of binding by ligands between parallel plane membranes comprising receptors. 697-707 - Viktor K. Decyk, Tajendra V. Singh:
Particle-in-Cell algorithms for emerging computer architectures. 708-719 - Christopher D. Cooper, Jaydeep P. Bardhan, Lorena 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, Paolo Sibani:
Optimization by record dynamics. 730-735 - David L. Green, Lee A. Berry:
Iterative addition of parallel temperature effects to finite-difference simulation of radio-frequency wave propagation in plasmas. 736-743 - Xiaoying Pang, Larry Rybarcyk:
GPU accelerated online multi-particle beam dynamics simulator for ion linear particle accelerators. 744-753 - Bo Li, Keisuke Fujii, 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 - Hannes Grimm-Strele, Friedrich Kupka, Herbert J. Muthsam:
Curvilinear grids for WENO methods in astrophysical simulations. 764-776 - Truong Vinh Truong Duy, Taisuke Ozaki:
A three-dimensional domain decomposition method for large-scale DFT electronic structure calculations. 777-789 - Hai-Wei Sun, Leonard Z. Li:
A CCD-ADI method for unsteady convection-diffusion equations. 790-797 - Yufeng Nie, Weiwei Zhang, Nan Qi, Yiqiang Li:
Parallel node placement method by bubble simulation. 798-808 - Manoj Kumar, Sapna Pandit:
A composite numerical scheme for the numerical simulation of coupled Burgers' equation. 809-817 - Ravishankar Sundararaman, 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, Roberto Chignola, Edoardo Milotti:
Efficient and extendible class scheme for the combined reaction-diffusion of multiple molecular species. 826-835 - Hailing Xiong, Hang Li, Weiping Chen, Laosheng Wu:
Data structure for on-lattice cluster-cluster aggregation model performance optimization. 836-840 - Kasper R. Kuijpers, Lilian de Martín, J. Ruud van Ommen:
Optimizing off-lattice Diffusion-Limited Aggregation. 841-846 - Matt Landreman, Adam Stahl, Tünde Fülöp:
Numerical calculation of the runaway electron distribution function and associated synchrotron emission. 847-855 - Miao Gao, Gui-Ping Zhang, 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, Bo Wu, Zhixiang Huang, 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, Harald Forbert, Dominik Marx:
Reactive path integral quantum simulations of molecules solvated in superfluid helium. 884-899 - Ivan Cimrák, Markus Gusenbauer, Iveta Jancigová:
An ESPResSo implementation of elastic objects immersed in a fluid. 900-907 - Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît 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, Mohsen Eshraghi, Sergio Felicelli, John F. Peters:
Large-scale parallel lattice Boltzmann-cellular automaton model of two-dimensional dendritic growth. 939-947 - Karl Jansen, Hernan Leovey, Andreas Ammon, Andreas Griewank, M. Müller-Preussker:
Quasi-Monte Carlo methods for lattice systems: A first look. 948-959 - Geneviève Bélanger, Fawzi Boudjema, Alexander Pukhov, A. Semenov:
micrOMEGAs_3: A program for calculating dark matter observables. 960-985 - Nabil L. Youssef, Salah Gomaa Elgendi:
New Finsler package. 986-997 - Jelena Smiljanic, M. Zezelj, V. Milanovic, Jelena Radovanovic, Igor Stankovic:
MATLAB-based program for optimization of quantum cascade laser active region parameters and calculation of output characteristics in magnetic field. 998-1006 - Alberto Otero-de-la-Roza, Erin R. Johnson, Víctor Luaña:
Critic2: A program for real-space analysis of quantum chemical interactions in solids. 1007-1018 - Michele Ceriotti, Joshua More, David E. Manolopoulos:
i-PI: A Python interface for ab initio path integral molecular dynamics simulations. 1019-1026 - Stephen Oxburgh, Tomás Tyc, Johannes Courtial:
Dr TIM: Ray-tracer TIM, with additional specialist scientific capabilities. 1027-1037 - Yukihiro Komura, Yutaka Okabe:
CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models. 1038-1043 - Bruno Golosio, Tom Schoonjans, Antonio Brunetti, Piernicola Oliva, Giovanni Luca Masala:
Monte Carlo simulation of X-ray imaging and spectroscopy experiments using quadric geometry and variance reduction techniques. 1044-1052 - Siegfried Vanaverbeke, Rony Keppens, Stefaan Poedts:
GRADSPMHD: A parallel MHD code based on the SPH formalism. 1053-1073 - Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase:
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory. 1074-1080 - Jan Kaspar:
Elegent - An elastic event generator. 1081-1084 - David Kauzlaric, Marek Dynowski, Lars Pastewka, Andreas Greiner, 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, L. G. S. Duarte, L. A. C. P. da Mota:
A Maple package for improved global mapping forecast. 1115-1129 - Florian Lyonnet, I. Schienbein, Florian Staub, A. Wingerter:
PyR@TE: Renormalization group equations for general gauge theories. 1130-1152