Bachelor/Master Thesis

We offer our Material Science students the opportunity to work in our team on current research topics in the field of computational materials simulations.

General topics

  • Ab initio simulations, density functional theory (DFT)
  • Molecular dynamics (MD) simulations
  • Machine-learning interatomic potentials (MLIPs)
  • Method development (statistical sampling, "rare events")

Specific topics (exemplary)

  • MD simulations of mesoporous metallo-silicates with MLIPs
  • MD simulations of superdislocations in Ni3Al with MLIPs
  • DFT thermodynamics and phase transitions in metals (e.g., Lanthanum)
  • Calculation of migration properties of screw dislocations in bcc materials with MD

Further Information and Advice

This image shows Blazej Grabowski

Blazej Grabowski

Prof. Dr. rer. nat.

Head of Department/Dean of Studies

To the top of the page