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Physical Prior Mean Function-Driven Gaussian Processes Search for Minimum-Energy Reaction Paths with a Climbing-Image Nudged Elastic Band: A General Method for Gas-Phase, Interfacial, and Bulk-Phase Reactions
Teng, Chong, Wang, Yang, Bao, Junwei Lucas
Published in Journal of chemical theory and computation (28.05.2024)
Published in Journal of chemical theory and computation (28.05.2024)
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