Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques

L. Filion, M. Hermes, R. Ni, and M. Dijkstra Over the last number of years several simulation methods have been introduced to study rare events such as nucleation. In this paper we examine the crystal nucleation rate of hard spheres using three such numerical techniques: molecular dynamics, forward flux sampling, and a BennettChandler-type the ... [J. Chem. Phys. 133, 244115 (2010)] published Wed Dec 29, 2010.


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