• MAZE

  • Referenced in 1 article [sw40351]
  • Simplifying computational workflows with the Multiscale Atomic Zeolite Simulation Environment (MAZE). Zeolites, an important class ... observations, and (2) screening large libraries of zeolites to identify promising candidates for experimental synthesis ... describe the development of the Multiscale Atomic Zeolite Simulation Environment (MAZE) – a Python package that ... simplifies zeolite-specific calculation workflows by providing a user-friendly interface for systematically manipulating zeolite...
  • RASPA

  • Referenced in 2 articles [sw27541]
  • simulation of molecules in gases, fluids, zeolites, aluminosilicates, metal-organic frameworks, carbon nanotubes and external...
  • ChemShell

  • Referenced in 1 article [sw21148]
  • macromolecules such as enzymes, framework materials including zeolites, ionic solids, and surfaces. We outline...
  • Music

  • Referenced in 1 article [sw27535]
  • simulation of diffusion and adsoprtion in zeolites. It has also been used for liquid...
  • LAPACK

  • Referenced in 1713 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Matlab

  • Referenced in 13702 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • CUDA

  • Referenced in 1336 articles [sw03258]
  • The NVIDIA® CUDA® Toolkit provides a comprehensive development...
  • LAMMPS

  • Referenced in 73 articles [sw05952]
  • LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is...
  • NumPy

  • Referenced in 568 articles [sw06294]
  • NumPy is the fundamental package for scientific computing...
  • Scikit

  • Referenced in 630 articles [sw08058]
  • Scikit-learn: machine learning in python. Scikit-learn...
  • Python

  • Referenced in 2164 articles [sw14460]
  • Python is a widely used high-level, general...
  • mlf

  • Referenced in 61 articles [sw18400]
  • Mittag-Leffler function. This is a MATLAB routine...
  • GPAW

  • Referenced in 7 articles [sw22161]
  • GPAW - massively parallel electronic structure calculations with python...
  • NRMC

  • Referenced in 1 article [sw28336]
  • NRMC - A GPU code for N-Reverse Monte...
  • ASE

  • Referenced in 18 articles [sw30602]
  • The atomic simulation environment - a Python library for...