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  1. Minikappa Minikappa Public

    Data and code for journal publication on "A unified understanding of minimum lattice thermal conductivity"

    Python 8 3

  2. MLUHIP MLUHIP Public

    Data and script for journal publication on "Machine Learning a Universal Harmonic Interatomic Potential for Predicting Phonons in Crystalline Solids"

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  3. Unifiedkappa-phonopy Unifiedkappa-phonopy Public

    Scripts and modified phonopy to compute diagonal and off-diagonal lattice thermal conductivity using ShengBTE outputs

    Python 5 1

  4. dmol-book dmol-book Public

    Forked from BingqingCheng/dmol-book

    Deep learning for molecules and materials book

    Jupyter Notebook

  5. software-development software-development Public

    Forked from BingqingCheng/software-development

    A primer on software development best practices for computational chemistry

  6. machine-learning-for-physicists machine-learning-for-physicists Public

    Forked from BingqingCheng/machine-learning-for-physicists

    Code for "Machine Learning for Physicists 2020" lecture series

    Jupyter Notebook 1