Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts.
Srikanth RavipatiGiannis D. SavvaIlektra-Athanasia ChristidiRoland GuichardJens NielsenRomain RéocreuxMichail StamatakisPublished in: Comput. Phys. Commun. (2022)
Keyphrases
- monte carlo
- graph theoretical
- importance sampling
- markov chain
- simulation study
- stochastic approximation
- monte carlo simulation
- learning algorithm
- markovian decision
- adaptive sampling
- optimal strategy
- search space
- computational cost
- monte carlo tree search
- detection algorithm
- graph theory
- worst case
- cost function
- monte carlo method
- computational complexity
- optimal solution
- objective function
- particle swarm optimization
- graphical models
- game tree
- variance reduction