Path Factorization Approach to Stochastic Simulations
arXiv:1403.2282 · doi:10.1103/PhysRevLett.113.230601
Abstract
The computational efficiency of stochastic simulation algorithms is notoriously limited by the kinetic trapping of the simulated trajectories within low energy basins. Here we present a new method that overcomes kinetic trapping while still preserving exact statistics of escape paths from the trapping basins. The method is based on path factorization of the evolution operator and requires no prior knowledge of the underlying energy landscape. The efficiency of the new method is demonstrated in simulations of anomalous diffusion and phase separation in a binary alloy, two stochastic models presenting severe kinetic trapping.
5 pages and 3 figures for the article, plus 5 pages and 4 figures for the supplemental materials
References in corpus (7)
- Kinetic Activation Relaxation Technique
- Monte Carlo with Absorbing Markov Chains: Fast Local Algorithms for Slow Dynamics
- Graph Transformation Method for Calculating Waiting Times in Markov Chains
- Billion-atom Synchronous Parallel Kinetic Monte Carlo Simulations of Critical 3D Ising Systems
- Transition path sampling algorithm for discrete many-body systems
- A path-based approach to random walks on networks characterizes how proteins evolve new function
- Stochastic method for accommodation of equilibrating basins in kinetic Monte Carlo simulations
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