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Carsten Peterson

Expert

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Blocking technique for emulating very large polyelectrolytes

Författare

  • 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.

Avdelning/ar

  • Computational Biology and Biological Physics

Publiceringsår

1996

Språk

Engelska

Sidor

1079-1082

Publikation/Tidskrift/Serie

Physical Review Letters

Volym

76

Issue

7

Dokumenttyp

Artikel i tidskrift

Förlag

American Physical Society

Aktiv

Published

ISBN/ISSN/Övrigt

  • ISSN: 0031-9007