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https://iffmd.fz-juelich.de/RhXA4J_JTwebjYKG35TbuQ#

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

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

Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/

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 .

This are the Torch models from CAM originated from Giacomo Pedretti

A collection of shell scripts and small python programms to help with the KKRnano program.

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.

Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory

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

aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method

Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.