Research Interests

  • Computational Chemistry
  • Material characterization and material design applying model chemistry and quantum chemistry.
  • Photophysical properties of organic dyes, drugs and photoinitiators; computational spectroscopy.
  • Structure and thermodynamic properties of solvents, solvent effects.
  • Density functional theory and post - Hartree Fock methods.

My Research Activities In Computational Chemistry

My research is assigned to the field of Computational Chemistry with special emphasis on Density Functional Methods. The work is connected with the basic research on organic molecules and complexes, with regard to the investigation of their photophysical processes, absorption and emission of light absorbing molecules.

 Research Questions are:

What affects the effectivity of a chromophore?

How does the surrounding influence the structure and photophysics of an organic chromophore?

We like to understand the photophysical properties of the molecules and to improve their luminescence characteristics with the help of Computational Chemistry. 
The photophysical calculations try to answer problems raised from the experimental groups. Additionally, our interpretations can propose modified experiments to improve the strategy of solving chemical problems.

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Contact Information

Anne-Marie Kelterer

Institute of Physical and Theoretical Chemistry 
Graz University of Technology

Office: Brockmanngasse 29/3.OG
Post address: Stremayrgasse 9/I
8010 Graz

phone: +43 316 873 32244
fax: +43 316 873 10 32244