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Atomistic Machine Learning with Irreducible Cartesian Natural Tensors

cond-mat.mtrl-sci · 2025-10-05 · conditional · novelty 6.0

CarNet is an equivariant graph-neural-network framework built on irreducible Cartesian natural tensors that predicts interatomic potentials and high-rank tensorial properties such as the elastic constant tensor.

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  • Atomistic Machine Learning with Irreducible Cartesian Natural Tensors cond-mat.mtrl-sci · 2025-10-05 · conditional · none · ref 25

    CarNet is an equivariant graph-neural-network framework built on irreducible Cartesian natural tensors that predicts interatomic potentials and high-rank tensorial properties such as the elastic constant tensor.