artwork with formulas in the atrium of IFW

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).

Name Richter, PD Dr. Manuel