Equivariant tensor network potentials

Machine-learning interatomic potentials (MLIPs) have made a significant contribution to the recent progress in the fields of computational materials and chemistry due to the MLIPs’ ability of accurately approximating energy landscapes of quantum-mechanical models while being orders of magnitude more...

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Dettagli Bibliografici
Autori principali: M Hodapp, A Shapeev
Natura: Articolo
Lingua:English
Pubblicazione: IOP Publishing 2024-01-01
Serie:Machine Learning: Science and Technology
Soggetti:
Accesso online:https://doi.org/10.1088/2632-2153/ad79b5