Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths.
Yuki MitsutaToshio AsadaPublished in: J. Comput. Chem. (2023)
Keyphrases
- high precision
- similarity measure
- theoretical analysis
- high accuracy
- fully automatic
- alternative methods
- synthetic data
- clustering method
- computationally efficient
- optimization problems
- experimental evaluation
- dynamic programming
- mutual information
- cost function
- preprocessing
- detection method
- neural network
- computational cost
- multi objective
- pairwise
- computational complexity
- objective function
- machine learning
- combinatorial optimization