Project ID: plumID:21.013
Name: Role of vibrational excitation in heterogeneous catalysis
Keywords: catalysis, vibrational excitation, free energy barriers, dissociation, chemisorption
PLUMED version: 2.6
Contributor: Kristof Bal
Submitted on: 08 Apr 2021
PLUMED input files
Last tested: 22 Jul 2021, 08:53:17
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.
[v1] 08 Apr 2021: original submission
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