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physics.chem-ph2000★ 192 cited
Phase changes in 38 atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical
F. Calvo, J. P. Neirotti, David L. Freeman +1
We study the 38-atom Lennard-Jones cluster with parallel tempering Monte Carlo methods in the microcanonical and molecular dynamics ensembles. A new Monte Carlo algorithm is presen…
physics.chem-ph2000★ 246 cited
Phase changes in 38 atom Lennard-Jones clusters. I: A parallel tempering study in the canonical ensemble
J. P. Neirotti, F. Calvo, David L. Freeman +1
The heat capacity and isomer distributions of the 38 atom Lennard-Jones cluster have been calculated in the canonical ensemble using parallel tempering Monte Carlo methods. A disti…