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Counting statistics and fractionalization (notes)

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

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

(Submodule of main) PhD project, public notes.

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

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

PhD project notes.

Counting statistics and fractionalization

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.

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

Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals

Development backyard for project atomlflow on GitHub. Mainly notes.

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