A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions.
Tim N. HeinzPhilippe H. HünenbergerPublished in: J. Comput. Chem. (2004)
Keyphrases
- boundary conditions
- dynamic programming
- detection algorithm
- computational complexity
- search space
- np hard
- computational cost
- image processing
- theoretical analysis
- expectation maximization
- simulated annealing
- worst case
- cost function
- k means
- preprocessing
- optimal solution
- learning algorithm
- single image
- image segmentation
- matching algorithm
- reconstruction method