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A general-purpose machine-learning force field for bulk and nanostructured phosphorus
Elemental phosphorus is attracting growing interest across fundamental and applied fields of research. However, atomistic simulations of phosphorus have remained an outstanding challenge. Here, we show that a universally applicable force field for phosphorus can be created by machine learning (ML) f...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7596484/ https://www.ncbi.nlm.nih.gov/pubmed/33122630 http://dx.doi.org/10.1038/s41467-020-19168-z |