Project ID: plumID:21.009
Name: Nucleation rates from small scale atomistic simulations and transition state theory
Archive: https://github.com/kbal/nucleationrate/archive/main.zip (browse)
Category: materials
Keywords: kinetics, free energy barriers, nucleation, droplets, metadynamics
PLUMED version: 2.6
Contributor: Kristof Bal
Submitted on: 08 Feb 2021
Last revised: 02 Nov 2021
Publication: K. M. Bal, Nucleation rates from small scale atomistic simulations and transition state theory. The Journal of Chemical Physics. 155 (2021)
PLUMED input files
| File | Compatible with |
|---|---|
| nvt-committor/recross/plumed.inp |   |
| nvt-committor/smd/plumed.inp | |
| npt-fes/plumed.inp |    |
| npt-committor/recross/plumed.inp | |
| npt-committor/smd/plumed.inp | |
| nvt-fes/plumed.inp | |
Last tested: 16 Jan 2025, 20:31:14
Project description and instructions
Used with a recent LAMMPS snapshot (matching LAMMPS inputs are provided as well).
Submission history
[v1] 08 Feb 2021: original submission
[v2] 02 Nov 2021: updated doi
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