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A comparison of new methods for generating energy-minimizing configurations of patchy particles.
- Source :
-
Journal of Chemical Physics . 9/14/2009, Vol. 131 Issue 10, p104104. 8p. 5 Diagrams, 4 Charts, 4 Graphs. - Publication Year :
- 2009
-
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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 131
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 44169320
- Full Text :
- https://doi.org/10.1063/1.3223834