Unified theory of atom-centered representations and message-passing machine-learning schemes.

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Authors: Jigyasa Nigam; Sergey Pozdnyakov; Guillaume Fraux; Michele Ceriotti

Journal title: Journal of Chemical Physics

Journal publisher: American Institute of Physics

Published year: 2022

DOI identifier: 10.48550/arxiv.2202.01566

ISSN: 0021-9606