Self-consistent Coulomb interactions for machine learning interatomic potentials

DOI10.1088/1361-6544/AE0402MaRDI QIDQ6925170zbMATH OpenFDO

Authors Jack Thomas, Will Baldwin, Gábor Csányi, C. Ortner

Publication date 26 September 2025

Published in Nonlinearity (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

zbMATH Keywords

machine learninglocalityelectronic structureCoulomb interactionsinteratomic potentialstight bindingbody-order expansion

Mathematics Subject Classification ID

Learning and adaptive systems in artificial intelligence (68T05) Atomic physics (81V45) Molecular physics (81V55) Numerical methods for partial differential equations, boundary value problems (65N99)

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