Project ID: plumID:24.006
Name: Water vapor condensation
Archive: https://github.com/ZSHtju/WTmetaD-for-homogeneous-condensation/archive/refs/heads/main.zip
Category: chemistry
Keywords: metadynamics, homogeneous condensation, chemical potential
PLUMED version: 2.8
Contributor: Shenghui Zhong
Submitted on: 26 Feb 2024
Publication: S. Zhong, Z. Shi, B. Zhang, Z. Wen, L. Chen, Homogeneous water vapor condensation with a deep neural network potential model. The Journal of Chemical Physics. 160 (2024)
PLUMED input files
| File | Compatible with |
|---|---|
| chemicalPotentialDifference/plumed.dat |   |
| clusterFormationFreeEnergy/plumed.dat |  |
Last tested: 22 Apr 2024, 20:41:01
Project description and instructions
Run with LAMMPS (version 23Jun2022) and Plumed 2.8.
Submission history
[v1] 26 Feb 2024: original submission
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