Hybrid Monte Carlo simulation of polymer chains

Research output: Contribution to journalArticle

Abstract

We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16≤N≤512 monomers. Without excessive fine tuning, we find that the computational cost grows as N2+z′ with 0.641N∼Nν(ln N).

Details

Authors
Organisations
Original languageEnglish
Pages (from-to)1661-1667
Number of pages7
JournalJournal of Chemical Physics
Volume101
Issue number2
Publication statusPublished - 1994
Publication categoryResearch
Peer-reviewedYes