Monte Carlo algorithms based on the number of potential moves
โ Scribed by Jian-Sheng Wang; Lik Wee Lee
- Book ID
- 104110733
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 112 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
โฆ Synopsis
We discuss Monte Carlo dynamics based on N(ฯ, E) E , the (microcanonical) average number of potential moves which increase the energy by E in a single spin flip. The microcanonical average can be sampled using Monte Carlo dynamics of a single spin flip with a transition rate min(1, N(ฯ , E -E ) E / N(ฯ, E -E) E ) from energy E to E . A cumulative average (over Monte Carlo steps) can be used as a first approximation to the exact microcanonical average in the flip rate. The associated histogram is a constant independent of the energy. The canonical distribution of energy can be obtained from the transition matrix Monte Carlo dynamics. This second dynamics has fast relaxation time -at the critical temperature the relaxation time is proportional to specific heat. The dynamics are useful in connection with reweighting methods for computing thermodynamic quantities.
๐ SIMILAR VOLUMES
## Abstract In this article the adaptation of the Empirical Conformational Energy Program for Peptides (ECEPP/3) and two conformational search methods [viz., the Monte Carlo minimization (MCM) method and the electrostatically driven Monte Carlo (EDMC) method] to the Kendall Square Research KSR1 com