Machine Learning Force Fields

[Image: see text] 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...

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Detalles Bibliográficos
Autores principales: Unke, Oliver T., Chmiela, Stefan, Sauceda, Huziel E., Gastegger, Michael, Poltavsky, Igor, Schütt, Kristof T., Tkatchenko, Alexandre, Müller, Klaus-Robert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391964/
https://www.ncbi.nlm.nih.gov/pubmed/33705118
http://dx.doi.org/10.1021/acs.chemrev.0c01111

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391964/
https://www.ncbi.nlm.nih.gov/pubmed/33705118
http://dx.doi.org/10.1021/acs.chemrev.0c01111

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