A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents.
Hideaki TakahashiTakumi HoriHideaki HashimotoTomoshige NittaPublished in: J. Comput. Chem. (2001)
Keyphrases
- high accuracy
- preprocessing
- cross section
- experimental evaluation
- classification method
- synthetic data
- learning algorithm
- average error
- fully automatic
- segmentation method
- detection method
- clustering method
- objective function
- data sets
- optimization algorithm
- detection algorithm
- input data
- mutual information
- search space
- pairwise
- computational complexity
- high precision
- similarity measure