Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects

Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC02581K, Edge Article
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thomas Plé, Louis Lagardère, Jean-Philip Piquemal
We introduce FENNIX (Force-Field-Enhanced Neural Network InteraXions), a hybrid approach between machine-learning and force-fields.
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