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Notes about tools for academic work and coding. Emphasis on AI tools.
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Literature review on machine learning density functional theory (ML-DFT) and related topics
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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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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 .
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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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.
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The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
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