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Rejection-free Monte Carlo scheme for anisotropic particles

Daniel W Sinkovits1, Stephen A Barr, Erik Luijten

  • 1Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.

The Journal of Chemical Physics
|April 17, 2012
PubMed
Summary

This study enhances the geometric cluster algorithm for simulating anisotropic particles in complex geometries. The new method offers significant efficiency gains over traditional Monte Carlo simulations.

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