Hybrid Monte Carlo simulation of polymer chains
(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
- Irbäck, A. LU
- organization
- publishing date
- 1994
- 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
- 2024-01-04 10:59:21
@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}}, }