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Master thesis "Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method". 2021.

Reproduction of results from https://doi.org/10.1088/2632-2153/ac4d11

Counting statistics and fractionalization

Poster for Psi-k 2022 conference

Doctoral thesis (dissertation) of J. Wasmer's PhD project "Development of a surrogate machine learning model for the acceleration of first-principles calculations". Monograph.

Repository holding the test files from releases of Fleur

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