The Hauser Group

Welcome to the group!


The Hauser group is yet a small but hopefully fast growing theory group of Molecular Physics and Quantum Chemistry enthusiasts embedded in an interesting environment of experimentalists: We are part of the Institute of Experimental Physics at the Graz University of Technology, a rather unconventional but advantageous setup, which led to a whole series of joint publications in the field of metallic cluster physics and molecular spectroscopy with the group of Prof. Wolfgang Ernst.

We are always on the lookout for new Master and PhD-students with a background in physics, chemistry, or informatics. Please have a look at group news and open positions.

A brief overview of current topics and topics of the past is given below. Details of our research can be found here. For a list of publications please click here.

Research topics

  • First principles studies in surface chemistry and cluster physics
    • Gas adsorption
    • Thermochemistry, Reaction Dynamics
  • Cluster properties modeling
    • Surface Diffusion processes
    • Rayleigh breakup
    • Metallic nanowires and core-shell-systems
  • Alkane dehydrogenation via Pt and Pt-alloy nanoparticles
    • C-H bond activation
    • Descriptors for catalytic activity and selectivity
  • New materials for molecular sieving, gas storage and separation
    • Nanoporous graphene sheets
    • Hydrogen, carbon dioxide and methane sequestration
    • Separation of bosonic from fermionic helium
    • Membrane-based chiral separation
  • Quantum chemical studies of weakly interacting systems such as
    • Helium Nanodroplets
    • High spin alkali metal clusters
  • Electronic structure of small metal clusters
    • Excited states
    • Shell models
  • Theoretical molecular spectroscopy
    • Spin-orbit and non-adiabatic coupling in molecules
    • Jahn-Teller effect
  • Method development
    • Potential energy surface interpolation for AIMD calculations
    • Extensions and wrappers for the Q-Chem program package
    • Bosonic helium density functional theory
Maintained by Andreas Hauser | Last updated Feb 2019 | Impressum