Hot-Ham combines Gaunt tensor products with a local-coordinate SO(2) convolution to predict DFT Hamiltonians accurately and efficiently across several material classes.
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Hot-Ham: an accurate and efficient E(3)-equivariant machine-learning electronic structures calculation framework
Hot-Ham combines Gaunt tensor products with a local-coordinate SO(2) convolution to predict DFT Hamiltonians accurately and efficiently across several material classes.