An infinite swapping approach to the rare-event sampling problem.
2011
We describe a new approach to the rare-event Monte Carlo sampling problem. This technique utilizes a symmetrization strategy to create probability distributions that are more highly connected and, thus, more easily sampled than their original, potentially sparse counterparts. After discussing the formal outline of the approach and devising techniques for its practical implementation, we illustrate the utility of the technique with a series of numerical applications to Lennard-Jones clusters of varying complexity and rare-event character.
Keywords:
- Computational chemistry
- Dynamic Monte Carlo method
- Importance sampling
- Monte Carlo molecular modeling
- Rare Event Sampling
- Probability bounds analysis
- Monte Carlo method
- Monte Carlo integration
- Monte Carlo method in statistical physics
- Chemistry
- Sampling (statistics)
- Hybrid Monte Carlo
- Slice sampling
- Rejection sampling
- Particle filter
- Correction
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