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MoGroupUMD

Mo Group at UMD

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  1. aimd aimd Public

    Python 46 23

  2. interface_stability interface_stability Public

    Python 16 13

  3. Topological_Analysis Topological_Analysis Public

    Topological analysis for Li local space, site, pathway in crystal structures

    Python 14 9

  4. Silicon_MLIP_datasets Silicon_MLIP_datasets Public

    Training, validation, and testing datasets for the publication "The discrepancies, the extrapolability, and the interpolability of machine learning interatomic potentials on simulating atomic dynam…

    6 1

  5. Learning_from_models Learning_from_models Public

    The analyses applied on high-dimensional performance data of machine learning interatomic potentials (MLIPs), described in 'Learning from models: high-dimensional analyses on the performance of MLIPs'

    Jupyter Notebook 4 4

  6. Li-Al_MLIP_datasets Li-Al_MLIP_datasets Public

    Eight datasets (including two training datasets, two validation datasets, and four testing datasets) for the publication "Assessing the accuracy of MLIPs in predicting the elemental ordering: a cas…

    1

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