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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…
Group Additivity Repository - Beta version
Python interface for the Zacros kinetic Monte Carlo code
Matlab scripts for read/write VASP output/input as well as read/write material studio XSD and XTD file.
Kinetic Monte Carlo with multiple time scales and sensitivity analysis