Review
We want to apply Monte Carlo simulation to evaluate the configuration integrals arising in statistical mechanics
Importance-sampling Monte Carlo is the only viable approach
- unweighted sum of U with configurations generated according to distribution
Markov processes can be used to generate configurations according to the desired distribution p(rN).
- Given a desired limiting distribution, we construct single-step transition probabilities that yield this distribution for large samples
- Construction of transition probabilities is aided by the use of detailed balance:
- The Metropolis recipe is the most commonly used method in molecular simulation for constructing the transition probabilities