Ensemble ML plus brute-force regression formulas predict cRPA-derived Ueff, V, and J for transition-metal oxides from electronic, structural, and elemental descriptors, with reported RMSEs of 0.148, 0.062, and 0.007 eV.
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Physics-informed Machine Learning Prediction of Hubbard Interaction Parameters
Ensemble ML plus brute-force regression formulas predict cRPA-derived Ueff, V, and J for transition-metal oxides from electronic, structural, and elemental descriptors, with reported RMSEs of 0.148, 0.062, and 0.007 eV.