A new QM/MM method oriented to the study of ionic liquids.
M. Luz SánchezJosé C. CorchadoM. Elena MartínIgnacio Fdez. GalvánRute Barata-MorgadoManuel A. AguilarPublished in: J. Comput. Chem. (2015)
Keyphrases
- detection method
- experimental study
- high accuracy
- regression analysis
- synthetic data
- pairwise
- dynamic programming
- cost function
- theoretical analysis
- statistical analysis
- empirical studies
- study proposes
- high precision
- detection algorithm
- computationally efficient
- mutual information
- computational cost
- significant improvement
- preprocessing
- computational complexity
- objective function
- similarity measure
- neural network
- image registration
- optimization algorithm
- clustering method
- support vector
- fully automatic
- optimization method
- genetic algorithm