Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach.
Subodh KhireShridhar R. GadrePublished in: J. Comput. Chem. (2023)
Keyphrases
- optimization algorithm
- optimal solution
- estimation algorithm
- computationally efficient
- single pass
- dynamic programming
- k means
- cost function
- high efficiency
- hierarchical clustering
- neural network
- computational complexity
- search space
- preprocessing
- particle swarm optimization
- estimation accuracy
- detection algorithm
- clustering method
- data clustering
- fuzzy c means
- cluster centers
- dense regions
- input data
- convergence rate
- worst case
- high dimensional
- objective function
- similarity measure
- three dimensional
- clustering algorithm
- genetic algorithm