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Media type:
E-Article
Title:
Free Energy Calculations with Multiple Gaussian Modified Ensembles
Contributor:
Neuhaus, Th.
[Author];
Hager, J.
[Author]
imprint:
APS, 2006
Published in:Physical review / E 74, 036702 (2006). doi:10.1103/PhysRevE.74.036702
Language:
English
DOI:
https://doi.org/10.1103/PhysRevE.74.036702
ISSN:
1539-3755
Keywords:
Origination:
Footnote:
Diese Datenquelle enthält auch Bestandsnachweise, die nicht zu einem Volltext führen.
Description:
We present a Monte Carlo algorithm, which samples free energies of complex systems. Less probable configurations are populated with the help of a multitude of additional Gaussian weights and parallel tempering is used for efficient Monte Carlo moves within phase space. The algorithm is easily parallelized and can be applied to a wide class of problems. We discuss algorithmic performance for the case of low-temperature phase separation in two-dimensional and three-dimensional Ising models, where we determine the magnetic interface tension. Multiple Gaussian modified ensemble simulations, unlike multicanonical ensemble simulations do not require a priori knowledge of the free energy and are of similar efficiency as multicanonical ensemble and Wang-Landau simulations.