Staff scientists/subjects:

Olexiy Bogdanov, room A3E.36:
Magnetic textures (skyrmions) and microstructures

Klaus Koepernik, room A3E.42:
Density Functional theory and electronic structure theory

• development of numerical methods for electronic structure theory (FPLO code, Wannier models)
• topological properties of matter
• DFT calculations for solid state compounds (ARPES spectra, dHvA spectra, magnetism etc.)

Ulrike Nitzsche, room A3E.39:
Design, implementation, and maintenance of Linux based high performance clusters

• support concerning linux (operating system and shell level)
• support for compiler issues and parallel coding
• support for FPLO code installations and FPLO reference calculations
• license management (Intel compiler suite, Mathematica, NAG)

Rajyavardhan Ray, room A2E.19:
Electronic structure theory of correlated and spin-orbit coupled materials

• electronic, optical and magnetic properties (bulk systems and molecules)
• electronic properties of spin-orbit driven materials (e.g. iridates and Kitaev magnets)
• crystal field for rare earth based magnets
• classical Monte Carlo simulations for magnetic systems

Manuel Richter (head), room A3E.42:
Application and development of electronic structure theory

• magnetic systems (cluster, surfaces and interfaces, bulk)
• simulation of photon and electron spectroscopies, hyperfine interaction
• phase stability and transitions, effects of pressure and magnetic fields
• relativistic effects on electronic structure

Ulrich Rößler (deputy head), room A3E.38:
Computational materials physics

• continuum theory of phase transitions (Landau-Ginzburg functionals)
• magnetic textures (skyrmions) and microstructures
• DFT simulations of magnetic materials

Important publications:

• K. Koepernik and H. Eschrig, "Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme", Phys. Rev. B 59, 1743 (1999); > 1200 citations.
• U.K. Rößler, A.N. Bogdanov, and C. Pfleiderer, "Spontaneous skyrmion ground states in magnetic metals", Nature 442, 797 (2006); > 800 citations.
• K. Lejaeghere et al., "Reproducibility in density functional theory calculations of solids", Science 351, aad3000 (2016); > 400 citations.

• Alexei N. Bogdanov, and Christos Panagopoulos, " The emergence of magnetic skyrmions", Physics Today 73, 44 (2020).