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Blocking technique for emulating very large polyelectrolytes

Peterson, Carsten LU ; Sommelius, Ola LU and Söderberg, Bo LU (1996) In Physical Review Letters 76(7). p.1079-1082
Abstract

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.

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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
in
Physical Review Letters
volume
76
issue
7
pages
4 pages
publisher
American Physical Society
external identifiers
  • scopus:0007464015
ISSN
0031-9007
language
English
LU publication?
yes
id
f60c059c-50ab-4776-9dc7-2bbbb5f85cfc
date added to LUP
2016-10-03 19:18:51
date last changed
2025-10-14 13:22:36
@article{f60c059c-50ab-4776-9dc7-2bbbb5f85cfc,
  abstract     = {{<p>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 Q<sup>3</sup> and is explored with emphasis on room temperature.</p>}},
  author       = {{Peterson, Carsten and Sommelius, Ola and Söderberg, Bo}},
  issn         = {{0031-9007}},
  language     = {{eng}},
  number       = {{7}},
  pages        = {{1079--1082}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review Letters}},
  title        = {{Blocking technique for emulating very large polyelectrolytes}},
  volume       = {{76}},
  year         = {{1996}},
}