Allen, M. P. (2009) Molecular simulation methods for soft matter. In: 10th Granada Seminar: Modeling and Simulation of New Materials, Univ Granada, Fac Ciencias, Granada, Spain, 15-19 Sep 2008. Published in: AIP Conference Proceedings, Vol.1091 (No.1). pp. 1-43.

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Abstract

Molecular simulation methods that are relevant to the study of soft condensed matter are reviewed. A short discussion of molecular interaction potentials is followed by an discussion of molecular dynamics algorithms, stochastic dynamics, and thermostatting methods. The standard Metropolis Monte Carlo algorithm is described, and a short introduction given to weighted and biased sampling methods. Throughout, examples are chosen from the field of soft condensed matter, including colloidal systems, liquid crystals, and biopolymers.

Item Type:	Conference Item (Paper)
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Computer simulation, Condensed matter, Statistical mechanics, Liquid crystals, Colloids, Polymers, Phase transformations (Statistical physics)
Journal or Publication Title:	AIP Conference Proceedings
Publisher:	American Institute of Physics
ISBN:	978-0-7354-0624-7
ISSN:	0094-243X
Editor:	Garrido, PL and Hurtado, PI and Marro, J
Date:	21 January 2009
Volume:	Vol.1091
Number:	No.1
Number of Pages:	43
Page Range:	pp. 1-43
Identification Number:	10.1063/1.3082281
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Conference Paper Type:	Paper
Title of Event:	10th Granada Seminar: Modeling and Simulation of New Materials
Type of Event:	Other
Location of Event:	Univ Granada, Fac Ciencias, Granada, Spain
Date(s) of Event:	15-19 Sep 2008
URI:	http://wrap.warwick.ac.uk/id/eprint/28072

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