Abstract
We determine nucleation rates of hard spheres using brute-force molecular dynamics simulations. We overcome nucleation barriers of up to 28 kBT, 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)].
Original language | English |
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Article number | 086101 |
Pages (from-to) | 1-3 |
Number of pages | 3 |
Journal | The Journal of chemical physics |
Volume | 159 |
Issue number | 8 |
DOIs | |
Publication status | Published - 28 Aug 2023 |