Journal: Computer Physics Communications

Volume 185, Issue 3

697 -- 707Ianik Plante, Luc Devroye, Francis A. Cucinotta. Calculations of distance distributions and probabilities of binding by ligands between parallel plane membranes comprising receptors
708 -- 719Viktor K. Decyk, Tajendra V. Singh. Particle-in-Cell algorithms for emerging computer architectures
720 -- 729Christopher 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
730 -- 735Daniele Barettin, Paolo Sibani. Optimization by record dynamics
736 -- 743D. L. Green, L. A. Berry. Iterative addition of parallel temperature effects to finite-difference simulation of radio-frequency wave propagation in plasmas
744 -- 753X. Pang, L. Rybarcyk. GPU accelerated online multi-particle beam dynamics simulator for ion linear particle accelerators
754 -- 761Bo Li, Keisuke Fujii, Yuanning Gao. Kalman-filter-based track fitting in non-uniform magnetic field with segment-wise helical track model
762 -- 763David W. Schwenke. On the computation of high order Rys quadrature weights and nodes
764 -- 776H. Grimm-Strele, Friedrich Kupka, H. J. Muthsam. Curvilinear grids for WENO methods in astrophysical simulations
777 -- 789Truong Vinh Truong Duy, Taisuke Ozaki. A three-dimensional domain decomposition method for large-scale DFT electronic structure calculations
790 -- 797Hai-wei Sun, Leonard Z. Li. A CCD-ADI method for unsteady convection-diffusion equations
798 -- 808Yufeng Nie, Weiwei Zhang, Nan Qi, Yiqiang Li. Parallel node placement method by bubble simulation
809 -- 817Manoj Kumar, Sapna Pandit. A composite numerical scheme for the numerical simulation of coupled Burgers' equation
818 -- 825Ravishankar Sundararaman, T. A. Arias. Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water
826 -- 835Sabrina Stella, Roberto Chignola, Edoardo Milotti. Efficient and extendible class scheme for the combined reaction-diffusion of multiple molecular species
836 -- 840Hailing Xiong, Hang Li, Weiping Chen, Laosheng Wu. Data structure for on-lattice cluster-cluster aggregation model performance optimization
841 -- 846Kasper R. Kuijpers, Lilian de Martín, J. Ruud van Ommen. Optimizing off-lattice Diffusion-Limited Aggregation
847 -- 855Matt Landreman, Adam Stahl, Tünde Fülöp. Numerical calculation of the runaway electron distribution function and associated synchrotron emission
856 -- 861Miao 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
862 -- 872Hui Wang, Bo Wu, Zhixiang Huang, Xianliang Wu. A symplectic FDTD algorithm for the simulations of lossy dispersive materials
873 -- 883Fabiano Corsetti. The orbital minimization method for electronic structure calculations with finite-range atomic basis sets
884 -- 899Lukasz Walewski, Harald Forbert, Dominik Marx. Reactive path integral quantum simulations of molecules solvated in superfluid helium
900 -- 907Ivan Cimrák, Markus Gusenbauer, I. Jancigová. An ESPResSo implementation of elastic objects immersed in a fluid
908 -- 916Wei 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
917 -- 932Reza Mohammadi. An exponential spline solution of nonlinear Schrödinger equations with constant and variable coefficients
933 -- 938V. B. Zlokazov. Confidence interval optimization for testing hypotheses under data with low statistics
939 -- 947Bohumir Jelinek, Mohsen Eshraghi, Sergio Felicelli, John F. Peters. Large-scale parallel lattice Boltzmann-cellular automaton model of two-dimensional dendritic growth
948 -- 959K. Jansen, H. Leovey, A. Ammon, A. Griewank, M. Müller-Preussker. Quasi-Monte Carlo methods for lattice systems: A first look
960 -- 985G. Bélanger, F. Boudjema, Alexander Pukhov, A. Semenov. micrOMEGAs_3: A program for calculating dark matter observables
986 -- 997Nabil L. Youssef, S. G. Elgendi. New Finsler package
998 -- 1006Jelena Smiljanic, M. Zezelj, V. Milanovic, J. Radovanovic, Igor Stankovic. MATLAB-based program for optimization of quantum cascade laser active region parameters and calculation of output characteristics in magnetic field
1007 -- 1018A. Otero-de-la-Roza, Erin R. Johnson, Víctor Luaña. Critic2: A program for real-space analysis of quantum chemical interactions in solids
1019 -- 1026Michele Ceriotti, Joshua More, David E. Manolopoulos. i-PI: A Python interface for ab initio path integral molecular dynamics simulations
1027 -- 1037Stephen Oxburgh, Tomás Tyc, Johannes Courtial. Dr TIM: Ray-tracer TIM, with additional specialist scientific capabilities
1038 -- 1043Yukihiro 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
1044 -- 1052Bruno 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
1053 -- 1073S. Vanaverbeke, Rony Keppens, Stefaan Poedts. GRADSPMHD: A parallel MHD code based on the SPH formalism
1074 -- 1080Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. deJong, Theresa L. Windus, William L. Hase. The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory
1081 -- 1084J. Kaspar. Elegent - An elastic event generator
1085 -- 1099David Kauzlaric, Marek Dynowski, Lars Pastewka, Andreas Greiner, Jan G. Korvink. SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface
1100 -- 1108Thomas Müller. MPPhys - A many-particle simulation package for computational physics education
1109 -- 1114Toni Giorgino. PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts
1115 -- 1129H. Carli, L. G. S. Duarte, L. A. C. P. da Mota. A Maple package for improved global mapping forecast
1130 -- 1152F. Lyonnet, I. Schienbein, F. Staub, A. Wingerter. PyR@TE: Renormalization group equations for general gauge theories
1153 -- 1171Peter Marquard, Nikolai Zerf. SLAM, a Mathematica interface for SUSY spectrum generators
1172 -- 1176Nicholas V. Sarlis, Stavros-Richard G. Christopoulos. Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses
1177 -- 1187Ulrich Hohenester. Simulating electron energy loss spectroscopy with the MNPBEM toolbox
1188 -- 1191David A. Bonhommeau, Marius Lewerenz, Marie-Pierre Gaigeot. 2 (version 1.1): A Monte Carlo code for multiply-charged clusters
1192 -- 0Santos B. Yuste, Joaquín Quintana-Murillo. Corrigendum to "A finite difference method with non-uniform timesteps for fractional diffusion equations" [Computer Physics Communications 183 (12) (2012) 2594-2600]
1193 -- 0Zhaopeng Zhong, Alberto Talamo, Yousry Gohar. Corrigendum to "Monte Carlo and deterministic computational methods for the calculation of the effective delayed neutron fraction" [Computer Physics Communications 184 (2013) 1660-1665]