Simulating Self-Assembly with Simple Models

D. C. Rapaport

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

Results from recent molecular dynamics simulations of virus capsid self-assembly are described. The model is based on rigid trapezoidal particles designed to form polyhedral shells of size 60, together with an atomistic solvent. The underlying bonding process is fully reversible. More extensive computations are required than in previous work on icosahedral shells built from triangular particles, but the outcome is a high yield of closed shells. Intermediate clusters have a variety of forms, and bond counts provide a useful classification scheme.

Original languageEnglish
Title of host publicationProceedings of the 25th Workshop on Computer Simulation Studies in Condensed Matter Physics
EditorsMichael Bachmann, Steven Lewis, David P. Landau, H.B. Schuttler
PublisherElsevier B.V.
Pages114-118
Number of pages5
ISBN (Electronic)9781627487504
DOIs
StatePublished - 2012
Event25th Workshop on Computer Simulation Studies in Condensed Matter Physics, CSP 2012 - Athens, United States
Duration: 20 Feb 201224 Feb 2012

Publication series

NamePhysics Procedia
Volume34
ISSN (Print)1875-3884
ISSN (Electronic)1875-3892

Conference

Conference25th Workshop on Computer Simulation Studies in Condensed Matter Physics, CSP 2012
Country/TerritoryUnited States
CityAthens
Period20/02/1224/02/12

Bibliographical note

Publisher Copyright:
© 2012 Published by Elsevier B.V.

Fingerprint

Dive into the research topics of 'Simulating Self-Assembly with Simple Models'. Together they form a unique fingerprint.

Cite this