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Universal machine learning for the response of atomistic systems to external fields
Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in current machine learning models. This work propose...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10570356/ https://www.ncbi.nlm.nih.gov/pubmed/37827998 http://dx.doi.org/10.1038/s41467-023-42148-y |