Mold: a LAMMPS package to compute interfacial free energies and nucleation rates
Author:
Publisher
The Open Journal
Link
https://joss.theoj.org/papers/10.21105/joss.06083.pdf
Reference32 articles.
1. The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations;Espinosa;The Journal of chemical physics,2014
2. Effect of pressure on the carbon dioxide hydrate–water interfacial free energy along its dissociation line;Romero-Guzmán;The Journal of Chemical Physics,2023
3. Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water;Haji-Akbari;Physical Chemistry Chemical Physics,2014
4. Forward-flux sampling with jumpy order parameters;Haji-Akbari;The Journal of chemical physics,2018
5. Homogeneous ice nucleation from supercooled water;Li;Physical Chemistry Chemical Physics,2011
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1. Variational umbrella seeding for calculating nucleation barriers;The Journal of Chemical Physics;2024-05-01
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