CarNet develops irreducible Cartesian natural tensors and an equivariant model that matches leading spherical-tensor performance for ML interatomic potentials and high-rank tensor predictions like elastic constants.
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Atomistic Machine Learning with Irreducible Cartesian Natural Tensors
CarNet develops irreducible Cartesian natural tensors and an equivariant model that matches leading spherical-tensor performance for ML interatomic potentials and high-rank tensor predictions like elastic constants.