Single-ended transition state finding with the growing string method.
Paul M. ZimmermanPublished in: J. Comput. Chem. (2015)
Keyphrases
- method finds
- high accuracy
- preprocessing
- synthetic data
- cost function
- theoretical analysis
- computational cost
- dynamic programming
- experimental evaluation
- high precision
- fully automatic
- optimization method
- model selection
- computationally efficient
- support vector machine
- pattern matching
- detection method
- input data
- neural network
- significant improvement
- feature vectors
- computational complexity
- data structure
- objective function
- genetic algorithm