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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Podrobná bibliografia

Vydané v:	Chemical reviews Ročník 121; číslo 16; s. 10142
Hlavní autori:	Unke, Oliver T, Chmiela, Stefan, Sauceda, Huziel E, Gastegger, Michael, Poltavsky, Igor, Schütt, Kristof T, Tkatchenko, Alexandre, Müller, Klaus-Robert
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States 25.08.2021
ISSN:	1520-6890, 1520-6890
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