A modified nudged elastic band algorithm with adaptive spring lengths
Author:
Affiliation:
1. Atomistic Simulations, Italian Institute of Technology, Via Morego, 30 16163 Genova, Italy
Funder
H2020 European Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0059593
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1. 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;Journal of Chemical Theory and Computation;2024-05-09
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