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Carsten Peterson

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Blocking technique for emulating very large polyelectrolytes

Author

  • Carsten Peterson
  • Ola Sommelius
  • Bo Söderberg

Summary, in English

A new Monte Carlo method for computing thermodynamical properties of very large polyelectrolytes is presented. It is based on a renormalization group relating the original polymer to a smaller system, where, in addition to the naively rescaled forces, a corrective nearest-neighbor interaction originating from the short distance Coulomb cutoff is introduced. The method is derived for low T but is in the unscreened case valid for all T. Large polymers with N monomers are emulated by Monte Carlo calculations on smaller systems, K = N/Q. The computational gain of the method is Q3 and is explored with emphasis on room temperature.

Department/s

  • Computational Biology and Biological Physics - Has been reorganised

Publishing year

1996

Language

English

Pages

1079-1082

Publication/Series

Physical Review Letters

Volume

76

Issue

7

Document type

Journal article

Publisher

American Physical Society

Status

Published

ISBN/ISSN/Other

  • ISSN: 0031-9007