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Literature review on machine learning density functional theory (ML-DFT) and related topics
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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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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kkr / jukkr
MIT LicenseThe Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
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Reiner Zorn / UNIFIT
MIT LicenseUNIFIT is a highly flexible program for fitting theories to experimental data.
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Reproduction of results from https://doi.org/10.1016/j.cpc.2019.106949
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