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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Bibliographic Details

Published in:	Computer physics communications Vol. 253; no. C; p. 107206
Main Authors:	Zhang, Yuzhi, Wang, Haidi, Chen, Weijie, Zeng, Jinzhe, Zhang, Linfeng, Wang, Han, E, Weinan
Format:	Journal Article
Language:	English
Published:	Netherlands Elsevier B.V 01.08.2020 Elsevier
Subjects:	Concurrent learning Deep learning Many-body potential energy Deep learning Concurrent learning Many-body potential energy
ISSN:	0010-4655, 1879-2944
Online Access:	Get full text
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