
ReaxFF
 Referenced in 19 articles
[sw28391]
 modeling chemical reactions with atomistic potentials based on the reactive force field approach. In collaboration ... elements, such as transition metals, the bondorder based reactive force field can in principle...

Gmsh
 Referenced in 672 articles
[sw00366]
 Gmsh is a 3D finite element grid generator...

IMD
 Referenced in 7 articles
[sw00438]
 IMD is a software package for classical molecular...

Maple
 Referenced in 5270 articles
[sw00545]
 The result of over 30 years of cutting...

Mathematica
 Referenced in 6213 articles
[sw00554]
 Almost any workflow involves computing results, and that...

Matlab
 Referenced in 12983 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

R
 Referenced in 9109 articles
[sw00771]
 R is a language and environment for statistical...

AMBER
 Referenced in 57 articles
[sw01333]
 AmberTools is a set of programs for biomolecular...

NAMD
 Referenced in 79 articles
[sw03198]
 NAMD is a parallel molecular dynamics code designed...

CUDA
 Referenced in 1275 articles
[sw03258]
 The NVIDIA® CUDA® Toolkit provides a comprehensive development...

Gromacs
 Referenced in 122 articles
[sw04128]
 GROMACS is a versatile package to perform molecular...

ABAQUS
 Referenced in 1551 articles
[sw04215]
 The Abaqus Unified FEA product suite offers powerful...

FEniCS
 Referenced in 697 articles
[sw04314]
 The FEniCS Project is a collaborative project for...

Simulink
 Referenced in 791 articles
[sw04348]
 Simulink® is an environment for multidomain simulation and...

SyFi
 Referenced in 164 articles
[sw05701]
 The finite element package SyFi is a C...

LAMMPS
 Referenced in 65 articles
[sw05952]
 LAMMPS (Largescale Atomic/Molecular Massively Parallel Simulator) is...

CHARMM
 Referenced in 121 articles
[sw05953]
 CHARMM (Chemistry at HARvard Macromolecular Mechanics). CHARMM models...

GAUSSIAN
 Referenced in 190 articles
[sw06118]
 Gaussian is an electronic structure program, used by...

ODEPACK
 Referenced in 197 articles
[sw08341]
 ODEPACK, a systematized collection of ODE solvers. ODEPACK...

sPuReMD
 Referenced in 6 articles
[sw12865]
 Reactive molecular dynamics: numerical methods and algorithmic techniques...