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  1. diffusion diffusion Public

    Hydrogen diffusivity in Pd Bulk

    Python 2

  2. thermal_expansion thermal_expansion Public

    Running thermal expansion calculations

    Python 1

  3. Academy Academy Public

    Yanxon Academy

    Jupyter Notebook 3

  4. RDF-KRR-DOS RDF-KRR-DOS Public

    Predicting DOS at Fermi level with RDF as descriptor and KRR as the ML algorithm.

    Jupyter Notebook 1 1