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Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Literature review on machine learning density functional theory (ML-DFT) and related topics
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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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qtisas / qwtplot3d
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qtisas / qtexengine
GNU General Public License v3.0 onlyUpdated -
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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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