Literature review on ML-enabled DFT for AI meeting

PhD project notes.

(Submodule of main) PhD project, public notes.

A collection of shell scripts and small python programms to help with the KKRnano program.

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Release version of a Java based GUI for case creation and SolutionMonitor for containmentFoam

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-6. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.

Poster for Psi-k 2022 conference

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

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