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  1. VlachosGroup/Multiscale-KMC VlachosGroup/Multiscale-KMC Public

    Kinetic Monte Carlo with multiple time scales and sensitivity analysis

    C++ 21 8

  2. VlachosGroup/Structure-Optimization VlachosGroup/Structure-Optimization Public

    Catalyst structure optimization using kinetic Monte Carlo and machine learning

    Python 4

  3. VlachosGroup/ORR-Optimization VlachosGroup/ORR-Optimization Public

    Catalyst structure optimization for the oxygen reduction reaction

    Python 2

  4. VlachosGroup/Zacros-Wrapper VlachosGroup/Zacros-Wrapper Public

    Python 5