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Article
A Comparison of New Methods for Generating Energy-Minimizing Configurations of Patchy Particles
The Journal of Chemical Physics (2009)
  • Eric Jankowski
  • Sharon C. Glotzer
Abstract
Increasingly complex particles are pushing the limits of traditional simulation techniques used to study self-assembly. In this work, we test the use of a learning-augmented Monte Carlo method for predicting low energy configurations of patchy particles shaped like “Tetris®” pieces. We extend this method to compare it against Monte Carlo simulations with cluster moves and introduce a new algorithm—bottom-up building block assembly—for quickly generating ordered configurations of particles with a hierarchy of interaction energies.
Keywords
  • Monte Carlo methods,
  • phase space methods,
  • self assembly,
  • strong interactions,
  • optimization
Publication Date
September 14, 2009
Publisher Statement
Copyright (2009) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics, 131(10), 104104 and may be found at doi: 10.1063/1.3223834
Citation Information
Eric Jankowski and Sharon C. Glotzer. "A Comparison of New Methods for Generating Energy-Minimizing Configurations of Patchy Particles" The Journal of Chemical Physics Vol. 131 Iss. 10 (2009)
Available at: http://works.bepress.com/eric_jankowski/1/