We determine the nucleation rates of hard spheres using brute-force molecular dynamics simulations. We overcome nucleation barriers of up to 28kBT, leading to a rigorous test of nucleation rates obtained from rare-event methods and classical nucleation theory. Our brute-force nucleation rates show excellent agreement with umbrella sampling simulations by Filion et al. [J. Chem. Phys. 133, 244115 (2010)] and seeding simulations by Espinosa et al. [J. Chem. Phys. 144, 034501 (2016)].
@article{arxiv.2309.06216,
title = {Brute-force nucleation rates of hard spheres compared with rare-event methods and classical nucleation theory},
author = {Willem Gispen and Marjolein Dijkstra},
journal= {arXiv preprint arXiv:2309.06216},
year = {2023}
}