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Robust Gaussian Process Regression Method for Efficient Tunneling Pathway Optimization: Application to Surface Processes.

Authors :
Fang, Wei
Zhu, Yu-Cheng
Cheng, Yihan
Hao, Yi-Ping
Richardson, Jeremy O.
Source :
Journal of Chemical Theory & Computation; 5/14/2024, Vol. 20 Issue 9, p3766-3778, 13p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
9
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
177242784
Full Text :
https://doi.org/10.1021/acs.jctc.4c00158