• ReaxFF

  • Referenced in 19 articles [sw28391]
  • program for modeling chemical reactions with atomistic potentials based on the reactive force field approach ... elements, such as transition metals, the bond-order based reactive force field can in principle...
  • RDFTools

  • Referenced in 2 articles [sw30881]
  • software tool for quantifying short‐range ordering in amorphous materials. A software package for computing ... quantities as interatomic nearest neighbor distances, average bond angles and coordination numbers. The software runs ... immediate interrogation at the microscope; even for potentially thick specimens and/or regions of unknown elemental...
  • DensToolKit

  • Referenced in 0 articles [sw20061]
  • electrons detector (LED), information entropy, molecular electrostatic potential, kinetic energy densities KK and GG, among ... program for searching critical points and bond paths of the electron density, under the framework ... grids, and the reduced density matrix of order one along lines joining two arbitrary atoms...
  • BEMLIB

  • Referenced in 101 articles [sw00005]
  • BEMLIB is a boundary-element software library of...
  • ANSYS

  • Referenced in 666 articles [sw00044]
  • ANSYS offers a comprehensive software suite that spans...
  • Gmsh

  • Referenced in 635 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 5199 articles [sw00545]
  • The result of over 30 years of cutting...
  • Mathematica

  • Referenced in 6090 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Matlab

  • Referenced in 12640 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • NAG

  • Referenced in 419 articles [sw00610]
  • Produced by experts for use in a variety...
  • R

  • Referenced in 8836 articles [sw00771]
  • R is a language and environment for statistical...
  • REDUCE

  • Referenced in 741 articles [sw00789]
  • REDUCE is an interactive system for general algebraic...
  • SageMath

  • Referenced in 1743 articles [sw00825]
  • Sage (SageMath) is free, open-source math software...
  • AMBER

  • Referenced in 56 articles [sw01333]
  • AmberTools is a set of programs for biomolecular...
  • GAMESS

  • Referenced in 38 articles [sw03002]
  • GAMESS is a program for ab initio molecular...
  • NAMD

  • Referenced in 78 articles [sw03198]
  • NAMD is a parallel molecular dynamics code designed...
  • CUDA

  • Referenced in 1230 articles [sw03258]
  • The NVIDIA® CUDA® Toolkit provides a comprehensive development...
  • FEAST

  • Referenced in 83 articles [sw04025]
  • The FEAST solver package is a free high...
  • TetGen

  • Referenced in 163 articles [sw04046]
  • TetGen, a Delaunay-Based Quality Tetrahedral Mesh Generator...