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  1. AIMDprobe AIMDprobe Public

    Python 4

  2. Kolbe_electrolysis_mechanisms Kolbe_electrolysis_mechanisms Public

    Python 1 3

  3. furfural_hydrogenation furfural_hydrogenation Public

    Including the data and scripts for furfural hydrogenation project

    Python 2 1

  4. BulkMaterials_ML BulkMaterials_ML Public

    Predicting Bulk Modulus (Voigt Modulus) of materials

    Jupyter Notebook

  5. ML_interfaces ML_interfaces Public

    Apply machine learning protocols to understand interfacial chemistries for catalysis and energy conversion

    Jupyter Notebook