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...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Computer physics communications Jg. 253; H. C; S. 107206
Hauptverfasser:	Zhang, Yuzhi, Wang, Haidi, Chen, Weijie, Zeng, Jinzhe, Zhang, Linfeng, Wang, Han, E, Weinan
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Netherlands Elsevier B.V 01.08.2020 Elsevier
Schlagworte:	Concurrent learning Deep learning Many-body potential energy Deep learning Concurrent learning Many-body potential energy
ISSN:	0010-4655, 1879-2944
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!