Parameterization of a reactive force field using a monte carlo algorithm.
Eldhose IypeMarkus HütterA. P. J. JansenSilvia V. NedeaC. C. M. RindtPublished in: J. Comput. Chem. (2013)
Keyphrases
- monte carlo
- monte carlo simulation
- markov chain
- improved algorithm
- monte carlo tree search
- dynamic programming
- optimal solution
- parameter estimation
- importance sampling
- kalman filter
- segmentation algorithm
- expectation maximization
- bayesian framework
- maximum likelihood
- edge detection
- optical flow
- force field
- matrix inversion
- search space