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ORCIDComputer 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, Hong Xu:
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, Xinlong Feng:
A positivity preserving characteristic finite element method for solving the transport and convection-diffusion-reaction equations on general surfaces. - Martin P. Bircher, Ursula Rothlisberger:
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves. - Simone Rusconi, Denys Dutykh, Arghir Zarnescu, Dmitri Sokolovski, Elena V. Akhmatskaya:
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, Davide Melazzi, Daniele Pavarin:
3D-VIRTUS: Equilibrium condition solver of radio-frequency magnetized plasma discharges for space applications. - Seiji Zenitani, Tsunehiko N. Kato:
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, Chao Chen, Eric Darve:
Parallelization of the inverse fast multipole method with an application to boundary element method. - Nicolas Michel, Hasan Metin Aktulga, Y. Jaganathen:
Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model.
- Jonathan Lym, Gerhard R. Wittreich, Dionisios G. Vlachos:
A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation. - Martin Friák, Dusan Lago, Nikola Koutná, David Holec, Tomás Rebok, Mojmír Sob:
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, Henry Lambert, Nourdine Zibouche, Feliciano Giustino:
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, Leili Javidpour, Muhammad Sahimi, Katherine Shing, Aiichiro Nakano:
sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation. - Yidong Xia, Ansel L. Blumers, Zhen Li, Lixiang Luo, Yu-Hang Tang, Joshua Kane, Jan Goral, Hai Huang, Milind Deo, Matthew Andrew:
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, Henryk Anglart:
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, António J. C. Varandas:
A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules. - Marcel Krause, Margarete Mühlleitner:
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, Taek Jung Kim, Jae-Hoon Sim, Myung Joon Han:
Jx: An open-source software for calculating magnetic interactions based on magnetic force theory. - Athanasios Dedes, Michael Paraskevas, Janusz Rosiek, Kristaq Suxho, Lampros Trifyllis:
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, Tao Zeng:
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, Marc O. J. Jäger, Eiaki V. Morooka, Filippo Federici Canova, Yashasvi S. Ranawat, David Z. Gao, Patrick Rinke, Adam S. Foster:
DScribe: Library of descriptors for machine learning in materials science. - Dalibor Djukanovic:
Quark Contraction Tool - QCT. - Jonas Klappert, Fabian Lange:
Reconstructing rational functions with FireFly. - Valentin Niess, Anne Barnoud, Cristina Cârloganu, Olivier Martineau-Huynh:
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, Stefan Rainer:
GSGPEs-v1.1: A MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations.
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