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Recursive evaluation and iterative contraction of N-body equivariant features

Michele Ceriotti, Sergey Pozdnyakov, Jigyasa Nigam

Mapping an atomistic configuration to a symmetrized N-point correlation of a field associated with the atomic positions (e.g., an atomic density) has emerged as an elegant and effective solution to represent structures as the input of machine-learning algo ...
2020

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