Blocking technique for emulating very large polyelectrolytes
(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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https://lup.lub.lu.se/record/f60c059c-50ab-4776-9dc7-2bbbb5f85cfc
- author
- Peterson, Carsten LU ; Sommelius, Ola LU and Söderberg, Bo LU
- organization
- publishing date
- 1996
- 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
- 2024-01-04 13:38:54
@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}}, }