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.
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MLP-project
MLP-project PublicMaster repository for ML potentials project using aenet, MACE, ASE, and custom tools
Python
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Master repository for ML potentials project using aenet, MACE, ASE, and custom tools
Voss-Lab/MLP-project’s past year of commit activity - .github Public
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