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mazeau/README.md

Hi

  • I am doing still doing things, just not here anymore
  • (Used to be the) leading global expert and lead software developer for Reaction Mechanism Generator for Heterogeneous Catalysis

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  1. linear-scaling-tests linear-scaling-tests Public

    Forked from rwest/linear-scaling-tests

    Tests of linear scaling relationships implemented in RMG-Cat

    HTML

  2. RMG-database RMG-database Public

    Forked from cfgoldsmith/RMG-database

    The database of chemical parameters used with Reaction Mechanism Generator

    Python

  3. RMG-Py RMG-Py Public

    Forked from cfgoldsmith/RMG-Py

    Python version of the amazing Reaction Mechanism Generator (RMG).

    Python

  4. surface_w_sensitivity surface_w_sensitivity Public

    Forked from cfgoldsmith/surface_w_sensitivity

    Jupyter Notebook 3

  5. sample_code sample_code Public

    Some samples of code

    Python