Daniel Wortmann

Dr. Daniel Wortmann

Scientific Staff at Peter Grünberg Institute (PGI-1) and Institute for Advanced Simulation (IAS-1)


Electronic structure theory, DFT; Scientific computing, software development, RSE; Physics of surfaces and interfaces, magnetism; FLAPW method, FLEUR code


+49 2461/61-4210




Forschungszentrum Jülich GmbH
52428 Jülich

Peter Grünberg Institut (PGI)

Quanten-Theorie der Materialien (PGI-1/IAS-1)

Gebäude 04.8 / Raum 137

Research interests

After working on the electronic properties of semi-infinite surfaces and interfaces using the Green-function embedding technique and the implementation of an electron transport formalism using this approach, my current activities strongly focus on the challenge of high-performance and high-throughput DFT simulations. As a main developer of the FLEUR code I devote some effort to questions like parallelization, utilization of GPUs for scientific computing and sustainable research software engineering. After all, the exascale computer is coming to Juelich!

Letzte Änderung: 12.01.2024