@VlachosGroup

VlachosGroup

Dion Vlachos research group

Pinned repositories

  1. Multiscale-KMC

    Kinetic Monte Carlo with multiple time scales and sensitivity analysis

    C++ 2 3

  2. VlachosGroupAdditivity

    Group Additivity Repository - Beta version

    Python 2 3

  3. Zacros-Wrapper

    Python interface for the Zacros kinetic Monte Carlo code

    Fortran 1 2

  • The Python Multiscale Thermochemistry Toolbox (PyMuTT) is a Python library for Thermochemistry developed by the Vlachos Research Group at the University of Delaware. This code was originally developed to convert ab-initio data from DFT to observable thermodynamic properties such as heat capacity, enthalpy, entropy, and Gibbs energy. These proper…

    Python 1 Updated Aug 15, 2018
  • Matlab Updated Aug 13, 2018
  • Group Additivity Repository - Beta version

    Python 2 3 MIT Updated Aug 8, 2018
  • Python interface for the Zacros kinetic Monte Carlo code

    Fortran 1 2 Updated Jul 31, 2018
  • Python MIT Updated Jan 30, 2018
  • C++ MIT Updated Jan 30, 2018
  • Matlab scripts for read/write VASP output/input as well as read/write material studio XSD and XTD file.

    HTML 1 MIT Updated Nov 29, 2017
  • Kinetic Monte Carlo with multiple time scales and sensitivity analysis

    C++ 2 3 Updated May 26, 2017