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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 .

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).

Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals

Notes from JW’s participation in The Carpentries course “Instructor Training”, date Mar 4-5, 2024.

https://iffmd.fz-juelich.de/RhXA4J_JTwebjYKG35TbuQ#

Tutorials from the workshop “Young Researchers’ Workshop on Machine Learning for Materials”, May 9-13, 2022, held at ICTP in Trieste, Italy.

Course HDSLEE Introduction and Fundamentals of Machine Learning

Workthrough of aiida-kkr tutorials at https://aiida-kkr.readthedocs.io

Computational model to study tissue growth - focusing on the homeostatic pressure - with the least amount of complexity possible.

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 approach