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Hybrid Monte Carlo simulation of polymer chains

Irbäck, A. LU (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). © 1994 American Institute of Physics.

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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
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
2016-10-13 05:12:31
@misc{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>. © 1994 American Institute of Physics.</p>},
  author       = {Irbäck, A.},
  issn         = {0021-9606},
  language     = {eng},
  number       = {2},
  pages        = {1661--1667},
  publisher    = {ARRAY(0x7ea2c00)},
  series       = {Journal of Chemical Physics},
  title        = {Hybrid Monte Carlo simulation of polymer chains},
  url          = {http://dx.doi.org/10.1063/1.467787},
  volume       = {101},
  year         = {1994},
}