Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties and long-range effects

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Authors: T. Plé, L. Lagardère, J.-P. Piquemal

Journal title: Chem. Sci.

Journal publisher: The Royal Society of Chemistry’s

Published year: 2023

DOI identifier: 10.1039/d3sc02581k

ISSN: 2041-6539