Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble

Details Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble

1998-07-16

arxiv.org/abs/cond-mat/9807237v1

J. Phys. Soc. Japan, Vol.67, Oct. 1998, 3327-3330 (references added)

Physics

Condensed Matter

5 Pages, 4 Postscript figures, uses epsf.sty

Scientific paper

10.1143/JPSJ.67.3327

A novel family of dynamical Monte Carlo algorithms for lattice polymers is proposed. Our central idea is to simulate an extended ensemble in which the self-avoiding condition is systematically weakened. The degree of the self-overlap is controlled in a similar manner as the multicanonical ensemble. As a consequence, the ensemble --the multi-self-overlap ensemble-- contains adequate portions of self-overlapping conformations as well as higher energy ones. It is shown that the multi-self-overlap ensemble algorithm reproduce correctly the canonical averages at finite temperatures of the HP model of lattice proteins. Moreover, it outperforms massively a standard multicanonical algorithm for a difficult example of a polymer with 8-stickers. Alternative algorithm based on exchange Monte Carlo method is also discussed.

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