𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An Improved Acceptance Procedure for the Hybrid Monte Carlo Algorithm

✍ Scribed by Radford M. Neal


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
539 KB
Volume
111
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.

✦ Synopsis


The probability of accepting a candidate move in the hybrid Monte Carlo algorithm can be increased by considering a transition to be between windows of several states at the beginning and end the trajectory, with a particular state within the selected window then being chrosen according to then Boltzmann probabilities. The detailed balance condition used to justify the algorithen stith holds with his urecenturn, provided the start state is randomly positioned within its window. The new procedure is shown empirically to significantly improve the acceptance rate for a test system of uncoupled oscillators. It also allows expectations to be estimated using data from all states in the windows. rather than just states that are accepted. (c) 1994 Academic Press. inc.


πŸ“œ SIMILAR VOLUMES


Hybrid Monte Carlo: An efficient algorit
✍ M. E. Clamp; P. G. Baker; C. J. Stirling; A. Brass πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 624 KB

## Abstract A detailed comparison has been made of the performance of molecular dynamics and hybrid Monte Carlo simulation algorithms for calculating thermodynamic properties of 2D Lennard‐Jonesium. The hybrid Monte Carlo simulation required an order of magnitude fewer steps than the molecular dyna

DMC: A multifunctional hybrid dynamics/M
✍ S.D. Morley; D.E. Jackson; M.R. Saunders; J.G. Vinter πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 896 KB

A hybrid conformational search algorithm (DMC) is described that combines a modified form of molecular dynamics with Metropolis Monte Carlo sampling, using the COSMIC(9O) force field. Trial configurations are generated by short bursts of high-temperature dynamics in which the initial kinetic energy