Project ID: plumID:25.005
Name: Mechanism of Nanocluster Formation from Machine-Learned Potential-based Simulations
Archive: https://github.com/vikast282/Ag6L6_nucleation/archive/main.zip (browse)
Category: chemistry
Keywords: WT-metadynamics, metal nanoclusters, nucleation, neural network potential, deepMD
PLUMED version: 2.8.2
Contributor: Vikas Tiwari, Tarak Karmakar
Submitted on: 02 Feb 2025
Publication: V. Tiwari, Dr. T. Karmakar, Understanding the Mechanism of Nanocluster Formation from Machine-Learned Potential-based Simulations (2025)
PLUMED input files
| File | Compatible with |
|---|---|
| dimer_octahedral/plumed.dat |   |
| monomer_dimer/plumed.dat | |
Last tested: 22 Apr 2025, 10:25:42
Project description and instructions
The inputs files can be used to run the neural network potential based molecular dynamics for metal nanocluster nucleation in LAAMPS integrated with DeepMD-kit 2.2.10 and PLUMED 2.8.2.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 02 Feb 2025: original submission
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