Explore projects
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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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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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Learning notes on coding, programming, software engineering, RSE.
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Electron Microscopy Python Reconstruction, developed at the PGI-5 / ER-C - https://empyre.iffgit.fz-juelich.de/empyre/
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Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals
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Reproduction of results from https://doi.org/10.1016/j.cpc.2019.106949
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Notes from JW’s participation in The Carpentries course “Instructor Training”, date Mar 4-5, 2024.
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