Collection of Tutorials and Lectures from the DFT Catalysis School hosted at Mississippi State University, June 2022
This repository contains the hands-on examples for the Institite for Computational Molecular Science and Engineering Density Functional Theory for Catalysis Workshop hosted at Mississippi State University, June 2022. As part of the workshop, participants will get hands-on experience with the CP2K and CATMAP software packages.
Hands on examples for CP2K and CATMAP are contained in the CP2K and CATMAP directories, respectfully.
To clone this repository on either your local machine or on a HPC resource, run the following command:
$ git clone https://github.com/MSELRai/iCoMSE-DFT-Catalysis-School.git
Over the course of the workshop, more tutorials will be added depindig on the flow of the workshop and any system the participants are interested in. To update your local repository, run:
$ git pull origin main