Project ID: plumID:25.011
Name: Chiral perovskite nucleation
Archive: https://github.com/adpietropaolo/plumed-nest-data/raw/master/ChiralPerovskiteNucleation.zip
Category: chemistry
Keywords: metadynamics, chiral perovskites, nucleation
PLUMED version: 2.9
Contributor: Adriana Pietropaolo
Submitted on: 12 May 2025
Publication: M. Fortino, G. Schifino, M. Salvalaglio, A. Pietropaolo, Stepwise kinetics of the early-stage nucleation in chiral perovskites via ab initio molecular dynamics and free-energy calculations. Nanoscale. 17, 5823–5828 (2025)
PLUMED input files
| File | Compatible with |
|---|---|
| ChiralPerovskiteNucleation/plumed.dat |   |
Last tested: 22 May 2025, 18:05:43
Project description and instructions
The folder provides the data to simulate the nucleation of chiral perovskites and contains the two pdb files of the two chiral ligands and the plumed input file.:w
Click here to open manual pages for actions used in this project.
Submission history
[v1] 12 May 2025: original submission
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