Project ID: plumID:21.013
Name: Role of vibrational excitation in heterogeneous catalysis
Archive: https://github.com/kbal/vibrationscatalysis/archive/main.zip (browse)
Category: chemistry
Keywords: catalysis, vibrational excitation, free energy barriers, dissociation, chemisorption
PLUMED version: 2.6
Contributor: Kristof Bal
Submitted on: 08 Apr 2021
Last revised: 02 Nov 2021
Publication: K. M. Bal, E. C. Neyts, Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption. Journal of Physics D: Applied Physics. 54, 394004 (2021)
PLUMED input files
Last tested: 22 Apr 2024, 20:54:43
Project description and instructions
Used with a recent LAMMPS snapshot. Matching LAMMPS inputs are provided as well, and seemingly missing LAMMPS input data should be available in the data/ dir.
Submission history
[v1] 08 Apr 2021: original submission
[v2] 02 Nov 2021: updated doi
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