title: Lattice-switch Monte Carlo method: application to soft potentials.
abstract: The lattice-switch Monte Carlo method, recently introduced and applied in the context of hard spheres, is extended to particles interacting through a soft potential. The method utilizes a transformation that switches between configurations of two different crystalline structures, allowing the phase space of both structures to be explored in a single simulation and the difference between their free energies to be determined directly. We apply the method to determine the fcc-hcp crystalline phase behavior of the classical Lennard-Jones solid.
authors.affiliation: Department of Physics and Astronomy, The University of Edinburgh, Edinburgh EH9 3JZ, Scotland, United Kingdom.
authors.forename: A N
authors.initials: AN
authors.lastname: Jackson
authors.forename: A D
authors.initials: AD
authors.lastname: Bruce
authors.forename: G J
authors.initials: GJ
authors.lastname: Ackland