Algorithm for normal mode analysis with general internal coordinates.
Kenshu KamiyaYoko SugawaraHideaki UmeyamaPublished in: J. Comput. Chem. (2003)
Keyphrases
- preprocessing
- optimal solution
- times faster
- theoretical analysis
- high accuracy
- k means
- dynamic programming
- cost function
- worst case
- detection algorithm
- significant improvement
- np hard
- search space
- computational complexity
- single pass
- improved algorithm
- convergence rate
- convex hull
- linear programming
- learning algorithm
- probabilistic model
- computational cost
- experimental evaluation
- expectation maximization
- association rules
- optimization algorithm
- data analysis
- clustering method
- matching algorithm
- simulated annealing
- recognition algorithm