Hybrid Monte Carlo simulation of polymer chains

Summary, in English

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^2+z′ with 0.641N∼N^ν(ln N)^-α.

• Author: A. Irbäck
• Department/s: Computational Biology and Biological Physics - Has been reorganised; Department of Astronomy and Theoretical Physics - Has been reorganised
• Publishing year: 1994
• Language: English
• Pages: 1661-1667
• Publication/Series: Journal of Chemical Physics
• Volume: 101
• Issue: 2
• Links: http://dx.doi.org/10.1063/1.467787
• Document type: Journal article
• Publisher: American Institute of Physics (AIP)
• Status: Published
• ISBN/ISSN/Other: ISSN: 0021-9606