Representing globally accurate reactive potential energy surfaces with complex topography by combining Gaussian process regression and neural networks
Author:
Affiliation:
1. Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics, Dalian University of Technology, Dalian 116024, P. R. China
Abstract
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00719C
Reference71 articles.
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