We develop machine learning models and electronic structure methods for accelerated and more accurate atomistic simulations of energy materials and heterogeneous catalysts.
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SK_repository
SK_repository PublicRepository containing Slater-Koster of transition metals, from Sc to Au.
Python 2
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MLP-uncertainty
MLP-uncertainty PublicMaster repository for ML potentials project using aenet, MACE, ASE, and custom tools
Python
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- MLP-uncertainty Public
Master repository for ML potentials project using aenet, MACE, ASE, and custom tools
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