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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-11. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Literature review on machine learning density functional theory (ML-DFT) and related topics

McStas files for the thermal neutron time-of-flight spectrometer TOPAS in Garching, Germany

Learning notes on coding, programming, software engineering, RSE.

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

PhD project notes.

(Submodule of main) PhD project, public notes.

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.