Explore projects
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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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Literature review on ML-enabled DFT for AI meeting
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Workshop held at the HDS-LEE Retreat 2023, https://www.hds-lee.de/events/hds-lee-retreat-2023/. Mirrors: https://jugit.fz-juelich.de/hds-lee/2023-retreat/workshop-get-started-with-mlops, https://codebase.helmholtz.cloud/hds-lee/2023-retreat/workshop-get-started-with-mlops.
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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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