Explore projects

Poster for Psi-k 2022 conference

HDS-LEE discussion group on MLOps, September 2022.

Project outline for HDS-LEE monitoring process, October 2022.

Notes about tools for academic work and coding. Emphasis on AI tools.

aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method

Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io

Working of kkr_combine_imps_wc , CPA calculation and ML that includes:

kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approach

Nodes to be shared in IAS-1