Machine Learning Force Fields

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...

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Bibliographic Details

Published in:	Chemical reviews Vol. 121; no. 16; p. 10142
Main Authors:	Unke, Oliver T, Chmiela, Stefan, Sauceda, Huziel E, Gastegger, Michael, Poltavsky, Igor, Schütt, Kristof T, Tkatchenko, Alexandre, Müller, Klaus-Robert
Format:	Journal Article
Language:	English
Published:	United States 25.08.2021
ISSN:	1520-6890, 1520-6890
Online Access:	Get more information
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