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Poster for Psi-k 2022 conference

HDS-LEE discussion group on MLOps, September 2022.

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

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

PGI-13 Website Theme

Version of candi to build deal.ii on JURECA

Release version of a Java based GUI for case creation and SolutionMonitor for containmentFoam

Tool for synching config files between several hosts. It manages differences between systems with Git branches.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-6. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.