Explore projects
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aiida-kkr-ml: Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method
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Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io
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Working of kkr_combine_imps_wc , CPA calculation and ML that includes:
kkr_combine_imps_wc calculations, data and relevant plots CPA calculations, data and plot ML approachUpdated -
Notes from JW’s participation in The Carpentries course “Instructor Training”, date Mar 4-5, 2024.
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Course HDSLEE Introduction and Fundamentals of Machine Learning
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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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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Computational model to study tissue growth - focusing on the homeostatic pressure - with the least amount of complexity possible.
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Tutorials from the workshop “Young Researchers’ Workshop on Machine Learning for Materials”, May 9-13, 2022, held at ICTP in Trieste, Italy.
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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