The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory
Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
Literature review on machine learning density functional theory (ML-DFT) and related topics
Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
Python script that reads a metadata text file, creates a SampleDB entry, and uploads files if desired.