DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simulations for large scale systems with quantum accuracy. However, making these models truly reliable and practically usefu...

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Vydáno v:	Computer physics communications Ročník 253; číslo C; s. 107206
Hlavní autoři:	Zhang, Yuzhi, Wang, Haidi, Chen, Weijie, Zeng, Jinzhe, Zhang, Linfeng, Wang, Han, E, Weinan
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Netherlands Elsevier B.V 01.08.2020 Elsevier
Témata:	Concurrent learning Deep learning Many-body potential energy Deep learning Concurrent learning Many-body potential energy
ISSN:	0010-4655, 1879-2944
On-line přístup:	Získat plný text
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