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Towards exact molecular dynamics simulations with machine-learned force fields
Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as good as the underlying interatomic potential. Classical poten...
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| Publicado no: | Nat Commun |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6155327/ https://ncbi.nlm.nih.gov/pubmed/30250077 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-018-06169-2 |
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