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

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

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

Literature review on ML-enabled DFT for AI meeting

PhD project notes.

(Submodule of main) PhD project, public notes.

Counting statistics and fractionalization

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

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

This are the Torch models from CAM originated from Giacomo Pedretti

Counting statistics and fractionalization (notes)

https://doi.org/10.1038/s41524-022-00721-x

https://doi.org/10.1002/qua.24954

https://doi.org/10.1088/2632-2153/ac4d11

https://doi.org/10.1016/j.cpc.2019.106949

https://doi.org/10.1021/acs.chemrev.1c00022

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 .