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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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Notes about tools for academic work and coding. Emphasis on AI tools.
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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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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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