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Computer Physics Communications, Volume 247
Volume 247, February 2020
- Matthias Frey
, Andreas Adelmann, Uldis Locans:
On architecture and performance of adaptive mesh refinement in an electrostatics Particle-In-Cell code. - Casey N. Brock, Alan R. Tackett, D. Greg Walker
Metric based on the arctangents of the logderivatives for evaluating scattering properties of pseudopotentials. - Mo Xiong, Xiujian Zhao, Neng Li
General energy-strain scheme for accurate evaluation of the Born elasticity term for solid and liquid systems under finite temperature and pressure conditions. - Xufeng Xiao, Zihuan Dai
A positivity preserving characteristic finite element method for solving the transport and convection-diffusion-reaction equations on general surfaces. - Martin P. Bircher
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves. - Simone Rusconi
An optimal scaling to computationally tractable dimensionless models: Study of latex particles morphology formation. - Yingcheng Zhou, Zheng Zhao, Daojian Cheng:
Cluster structure prediction via revised particle-swarm optimization algorithm. - Mirko Magarotto
3D-VIRTUS: Equilibrium condition solver of radio-frequency magnetized plasma discharges for space applications. - Seiji Zenitani
Multiple Boris integrators for particle-in-cell simulation. - Ruifeng Yuan, Chengwen Zhong
A conservative implicit scheme for steady state solutions of diatomic gas flow in all flow regimes. - Toru Takahashi
Parallelization of the inverse fast multipole method with an application to boundary element method. - Nicolas Michel
Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model.
- Jonathan Lym
A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation. - Martin Friák
Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites. - Karl D. Hammond
Parallel point defect identification in molecular dynamics simulations without post-processing: A compute and dump style for LAMMPS. - Juan-Carlos Giraldo, Néstor M. Peña, Michel M. Ney:
Encoding the electrodynamics in spatiotemporal boundaries. - B. N. Yao, R. F. Zhang:
AADIS: An atomistic analyzer for dislocation character and distribution. - Martin Schlipf
SternheimerGW: A program for calculating GW quasiparticle band structures and spectral functions without unoccupied states. - Jakub Rydzewski
maze: Heterogeneous ligand unbinding along transient protein tunnels. - Size Zheng
sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation. - Yidong Xia, Ansel L. Blumers, Zhen Li
A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics. - Kuo-Chuan Chang, Chia-Jyi Liu:
An algorithm of calculating transport parameters of thermoelectric materials using single band model with optimized integration methods. - Wenyuan Fan
varRhoTurbVOF: A new set of volume of fluid solvers for turbulent isothermal multiphase flows in OpenFOAM. - A. V. Smirnov, F. S. Chukharev:
FIRE6: Feynman Integral REduction with modular arithmetic. - Carlos M. R. Rocha
A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules. - Marcel Krause
ewN2HDECAY - A program for the calculation of Electroweak one-loop corrections to Higgs decays in the Next-to-Minimal Two-Higgs-Doublet Model including state-of-the-art QCD corrections. - Hongkee Yoon
Jx: An open-source software for calculating magnetic interactions based on magnetic force theory. - Athanasios Dedes, Michael Paraskevas
SmeftFR - Feynman rules generator for the Standard Model Effective Field Theory. - David Maurin
usine: Semi-analytical models for Galactic cosmic-ray propagation. - Robert A. Lang, Riley J. Hickman
VHEGEN: A vibronic Hamiltonian expansion generator for trigonal and tetragonal polyatomic systems. - Francesco Torsello:
bimEX: A Mathematica package for exact computations in 3+1 bimetric relativity. - Lauri Himanen
DScribe: Library of descriptors for machine learning in materials science. - Dalibor Djukanovic
Quark Contraction Tool - QCT. - Jonas Klappert
Reconstructing rational functions with FireFly. - Valentin Niess
TURTLE: A C library for an optimistic stepping through a topography. - Gediminas Gaigalas
Coupling: The program for searching optimal coupling scheme in atomic theory.
- Marco Caliari
GSGPEs-v1.1: A MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations.
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