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Photo of Anders Irbäck

Anders Irbäck

Professor

Photo of Anders Irbäck

Hybrid Monte Carlo simulation of polymer chains

Author

  • A. Irbäck

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 N2+z′ with 0.641N∼Nν(ln N)-α.

Department/s

  • Computational Biology and Biological Physics - Undergoing reorganization
  • Department of Astronomy and Theoretical Physics - Undergoing reorganization

Publishing year

1994

Language

English

Pages

1661-1667

Publication/Series

Journal of Chemical Physics

Volume

101

Issue

2

Document type

Journal article

Publisher

American Institute of Physics (AIP)

Status

Published

ISBN/ISSN/Other

  • ISSN: 0021-9606