Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method.
Xiaojun ZhouFan WangPublished in: J. Comput. Chem. (2017)
Keyphrases
- probabilistic model
- monte carlo method
- markov chain
- monte carlo
- bayesian learning
- genetic algorithm
- posterior distribution
- anisotropic diffusion
- bayesian networks
- learning machines
- mathematical models
- maximum likelihood estimation
- transfer learning
- probability distribution
- support vector machine
- state space
- parameter estimation
- reinforcement learning
- dynamic programming
- active learning
- lower bound