Project ID: plumID:23.028
Name: Reactant-Induced Dynamics of Lithium Imide Surfaces during the Ammonia Decomposition Process
Archive: https://github.com/Manyi-Yang/Li2NH-NH3-decomposition/archive/refs/heads/main.zip
Category: chemistry
Keywords: Ammonia decomposition; Dynamics;OPES; Neural Network potential
PLUMED version: 2.9
Contributor: Manyi Yang
Submitted on: 09 Jul 2023
Publication: M. Yang, U. Raucci, M. Parrinello, Ammonia Decomposition on Lithium Imide Surfaces: A New Paradigm in Heterogeneous Catalysis (2022)
PLUMED input files
Last tested: 26 Jan 2024, 15:18:07
Project description and instructions
It contains the input files necessary to reproduce the results contained here. Simulations were performed in combination with LAMMPS, Deepmd-kit, and CP2K. Please check the README file in each folder of the GitHub repository for more details.
Submission history
[v1] 09 Jul 2023: original submission
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