Self-assembly on multiple length scales: A Monte Carlo algorithm with data augmentation

Alessandro Troisi, Vance Wong, Mark A. Ratner

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

We present a Monte Carlo algorithm that allows simulations where portions of the system of variable size are moved. The algorithm requires the definition of an augmented space that contains information on the bonding between components of the system and is updated as the simulation proceeds. With this method it is possible to incorporate, within the same simulation, processes involving motion of smaller and larger portions of a given system. The algorithm is presented in general terms and illustrated for a simple one-dimensional lattice model.

Original languageEnglish
Article number024102
JournalJournal of Chemical Physics
Volume122
Issue number2
DOIs
Publication statusPublished - Aug 8 2005

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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