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

PhD project notes.

(Submodule of main) PhD project, public notes.

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

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

Code for generation & analysis of an AiiDA database of double transition metal impurity embeddings into the topological insulator Bi2Te3.

Fork of https://iffgit.fz-juelich.de/mozumder/Master_Thesis_Mozumder .

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

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.

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