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Hybrid Monte Carlo simulation of polymer chains

Irbäck, A. LU orcid (1994) In Journal of Chemical Physics 101(2). p.1661-1667
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)-α.

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author
organization
publishing date
type
Contribution to journal
publication status
published
in
Journal of Chemical Physics
volume
101
issue
2
pages
7 pages
publisher
American Institute of Physics (AIP)
external identifiers
  • scopus:0000342375
ISSN
0021-9606
DOI
10.1063/1.467787
language
English
LU publication?
yes
id
c14642b7-04f8-4561-a2be-a50a89d8b1df
date added to LUP
2016-08-17 18:01:50
date last changed
2025-10-14 11:39:19
@article{c14642b7-04f8-4561-a2be-a50a89d8b1df,
  abstract     = {{<p>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 N<sup>2+z′</sup> with 0.641N∼N<sup>ν</sup>(ln N)<sup>-α</sup>.</p>}},
  author       = {{Irbäck, A.}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  number       = {{2}},
  pages        = {{1661--1667}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Journal of Chemical Physics}},
  title        = {{Hybrid Monte Carlo simulation of polymer chains}},
  url          = {{http://dx.doi.org/10.1063/1.467787}},
  doi          = {{10.1063/1.467787}},
  volume       = {{101}},
  year         = {{1994}},
}