Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search.

Details

Language :

English

ISSN :

10895639

Volume :

123

Issue :

44

Database :

Supplemental Index

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

145004791

Full Text :

https://doi.org/10.1021/acs.jpca.9b08239