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Geometry meta-optimization.
J Chem Phys. 2022 Apr 7;156(13):134109. doi: 10.1063/5.0087165.
J Chem Phys. 2022.
PMID: 35395877
Dual-Level Training of Gaussian Processes with Physically Inspired Priors for Geometry Optimizations.
Teng C, Wang Y, Huang D, Martin K, Tristan JB, Bao JL.
Teng C, et al. Among authors: tristan jb.
J Chem Theory Comput. 2022 Sep 13;18(9):5739-5754. doi: 10.1021/acs.jctc.2c00546. Epub 2022 Aug 8.
J Chem Theory Comput. 2022.
PMID: 35939760
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