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Blocking technique for emulating very large polyelectrolytes

Peterson, Carsten LU ; Sommelius, Ola 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
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
2017-01-18 14:22:45
@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},
}