Explore projects
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Python-based command line tool with Fortran routines for global optimization of atomistic arrangement problems by Couolmb energy.
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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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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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McStas representation for the bispectral direct geometry chopper instrument T-REX at the European Spallation Source ESS in Lund, Sweden
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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Literature review on machine learning density functional theory (ML-DFT) and related topics
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Notes from JW’s participation in The Carpentries course “Instructor Training”, date Mar 4-5, 2024.
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