• Open Babel

  • Referenced in 16 articles [sw19551]
  • store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas...
  • PULSEE

  • Referenced in 1 article [sw41840]
  • nuclear magnetic/quadrupole resonance experiments (NMR/NQR) on solid-state samples, developed to assist experimental research ... strategies for the investigation of quantum materials inspired by the early NMR/NQR quantum computation protocols...
  • nextnano

  • Referenced in 5 articles [sw11317]
  • geometries and almost any relevant combination of materials in one, two, and three spatial dimensions ... this software in the fields of solid-state quantum computation, nanoelectronics, and optoelectronics, namely...
  • MATCONT

  • Referenced in 443 articles [sw00551]
  • MATCONT: Matlab software for bifurcation study of dynamical...
  • Mathematica

  • Referenced in 6355 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • REDUCE

  • Referenced in 746 articles [sw00789]
  • REDUCE is an interactive system for general algebraic...
  • Scilab

  • Referenced in 173 articles [sw00834]
  • Scilab includes hundreds of mathematical functions. It has...
  • UNCMND

  • Referenced in 106 articles [sw05265]
  • NCMND minimizes a smooth nonlinear function of n...
  • Excel

  • Referenced in 786 articles [sw06848]
  • Microsoft Excel is a powerful spreadsheet application that...
  • pchip

  • Referenced in 378 articles [sw10140]
  • pchip. Piecewise Cubic Hermite Interpolating Polynomial (PCHIP) ...
  • XCrySDen

  • Referenced in 5 articles [sw12504]
  • XCrySDen is a crystalline and molecular structure visualisation...
  • Python

  • Referenced in 2091 articles [sw14460]
  • Python is a widely used high-level, general...
  • Spglib

  • Referenced in 14 articles [sw19549]
  • Spglib is a library for finding and handling...
  • VASP

  • Referenced in 16 articles [sw19550]
  • The Vienna Ab initio Simulation Package (VASP) is...
  • pymatgen

  • Referenced in 15 articles [sw21647]
  • Python Materials Genomics (pymatgen): A robust, open-source...
  • ASE

  • Referenced in 17 articles [sw30602]
  • The atomic simulation environment - a Python library for...
  • sumo

  • Referenced in 2 articles [sw35729]
  • Sumo is a Python toolkit for plotting and...