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

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

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

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

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 .

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).

This are the Torch models from CAM originated from Giacomo Pedretti