Project ID: plumID:19.049
Name: Determining the sizes of solid/liquid clusters in MD trajectories of nucleation
Archive: https://github.com/gtribello/plumed-inputs/raw/master/Clustering/inputs.zip
Category: methods
Keywords: nucleation, metadynamics, clustering, Steinhardt order parameters
Contributor: Gareth Tribello
Submitted on: 04 Jun 2019
Publication: G. A. Tribello, F. Giberti, G. C. Sosso, M. Salvalaglio, M. Parrinello, Analyzing and Driving Cluster Formation in Atomistic Simulations. Journal of Chemical Theory and Computation. 13, 1317–1327 (2017)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed_GeTe.dat |   |
| plumed_lj_gas_liquid.dat |  |
| plumed_urea.dat | |
Last tested: 17 Apr 2024, 07:37:23
Project description and instructions
These are the input files that were used to perform (i) the metadynamics simulations of the vapour liquid transition that is described in the paper, (ii) the analysis of the urea nucleation trajectories and (iii) the analysis of the GeTe nucleation trajectories that are described in the paper.
Submission history
[v1] 04 Jun 2019: original submission
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