The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review

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The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review

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010304 chemical physics Chemistry Accurate estimation General Chemical Engineering Monte Carlo method Model system General Chemistry Condensed Matter Physics 01 natural sciences Surface tension Modeling and Simulation 0103 physical sciences General Materials Science Free energies Statistical physics 010306 general physics Information Systems

description

The accurate estimation of the excess free energy due to an interface between coexisting phases of a model system by computer simulation often is a challenging task. We review here two methods, whi...

year	journal	country	edition	language
2015-09-21	Molecular Simulation

https://doi.org/10.1080/08927022.2015.1071810

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