Machine Learning Force Fields.
Journal
Chemical reviews
ISSN: 1520-6890
Titre abrégé: Chem Rev
Pays: United States
ID NLM: 2985134R
Informations de publication
Date de publication:
25 08 2021
25 08 2021
Historique:
pubmed:
12
3
2021
medline:
12
3
2021
entrez:
11
3
2021
Statut:
ppublish
Résumé
In recent years, the use of machine learning (ML) in computational chemistry has enabled numerous advances previously out of reach due to the computational complexity of traditional electronic-structure methods. One of the most promising applications is the construction of ML-based force fields (FFs), with the aim to narrow the gap between the accuracy of
Identifiants
pubmed: 33705118
doi: 10.1021/acs.chemrev.0c01111
pmc: PMC8391964
doi:
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
10142-10186Références
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