Project ID: plumID:19.052
Name: Gibbs free energy of homogeneous nucleation
Archive: https://github.com/gtribello/plumed-inputs/raw/master/BQ2/inputs.zip
Category: materials
Keywords: nucleation, surface excess free energy
Contributor: Gareth Tribello
Submitted on: 04 Jun 2019
Publication: B. Cheng, G. A. Tribello, M. Ceriotti, The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit, The Journal of Chemical Physics 147, 104707 (2017)

PLUMED input files

File Compatible with
plumed.dat tested on v2.5 tested on master

Last tested: 18 Aug 2019, 14:15:41

Project description and instructions
This file is in the input file that was used for the metadynamics simulation that was used to extract the free energy as a function of the size of the number of atoms in the three-dimensional nucleus. The simulations in this work were performed using LAMMPS.

Submission history
[v1] 04 Jun 2019: original submission

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plumeDnest:19.052