Explore projects
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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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Learning notes on coding, programming, software engineering, RSE.
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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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Literature review on machine learning density functional theory (ML-DFT) and related topics
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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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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