Project ID: plumID:25.009
Name: Ab Initio Multiple Walkers Metadynamics Simulations of Nitrate Photolysis in Water
Archive: https://github.com/kamtung-tonybill/Nitrate_Photolysis_Aqueous_Solution/archive/refs/heads/main.zip
Category: chemistry
Keywords: metadynamics, nitrate photolysis
PLUMED version: 2.8
Contributor: Kam-Tung Chan
Submitted on: 04 Apr 2025
Publication: K.-T. Chan, M. Berrens, Z. Chen, C. W. McCurdy, C. Anastasio, D. Donadio, Revealing the Photochemical Pathways of Nitrate in Water through First-Principles Simulations (2025)
PLUMED input files
Last tested: 22 Apr 2025, 09:53:46
Project description and instructions
Ab initio metadynamics simulations with multiple walkers were performed with CP2K 8.2 package. Further instructions can be found here.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 04 Apr 2025: original submission
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