Collection of AiiDA WorkChains developed in CATMAT project at University of Oxford and University of Bath.
Compatible with:
Please check the documentation.
Below are sample provence graphs from calculations performed using aiida-catmat package.
If you use this package in your research, please consider citing
Please contact Pezhman Zarabadi-Poor if you have any questions regarding this package.
I think the Faraday Institution (FI) CATMAT project (EP/S003053/1, FIRG016) for financial support. I'd also thank Dr. Benjamin Morgan, Dr. Alex Squires, and Hollie Richards for their inputs during the developemnt.