Finite‐Temperature Dimer Method for Finding Saddle Points on Free Energy Surfaces
Author:
Affiliation:
1. Zhiyuan College and Institute of Natural SciencesShanghai Jiao Tong University Shanghai 200240 China
2. School of Mathematical Sciences, Institute of Natural Sciences, and MOE‐LSCShanghai Jiao Tong University Shanghai 200240 China
Funder
National Natural Science Foundation of China
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25824
Reference18 articles.
1. Quantum and thermal effects inH2dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems
2. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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4. Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide
5. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
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