Link molecule method for quantum mechanical/molecular mechanical hybrid simulations.
Yoshimichi NakamuraNorihiko TakahashiMasakuni OkamotoTsuyoshi UdaTakahisa OhnoPublished in: J. Comput. Phys. (2007)
Keyphrases
- experimental evaluation
- preprocessing
- detection method
- pairwise
- dynamic programming
- clustering method
- mathematical model
- fully automatic
- neural network
- prior knowledge
- computational complexity
- similarity measure
- segmentation algorithm
- machine learning
- optimization method
- high precision
- classification method
- segmentation method
- synthetic data
- mechanical design
- detection algorithm
- optimization algorithm
- mutual information
- edge detection
- high accuracy
- classification accuracy
- probabilistic model
- significant improvement
- genetic algorithm