not available   Univ.-Prof. Dipl.Ing. Dr. KRESSE Georg

photo by Peter Mayer (

Univ.-Prof. Dipl.Ing. Dr. KRESSE Georg
Computational Materials Physics
Faculty of Physics
University of Vienna
Sensengasse 8/12
A-1090 Wien

voice:     +43-1-4277-51411
fax:         +43-1-4277-9514
mail:    Georg.Kresse at

This home page is usually somewhat out of date, since I am always short of time. For any serious inquiries please contact me by email (Georg.Kresse at

Since approximately 1991, I am devoting most of my time to the development of ab initio density functional methods. My continued efforts to improve the numerical algorithms have resulted in a stable and versatile package called VASP (Vienna Ab initio Simulation Package), which is presently used by about 500 academic institutions and roughly 50 industrial licensees. Simultaneously, a database of PAW potentials covering the entire Periodic Table has been developed. This database is unique in terms of precision, robustness and completeness and allows even non experts of density functional methods to perform calculations for most compounds and structures without worrying about basis sets or pseudopotential details.
Please check out our VASP - Homepage. An extensive description of VASP (html) is available (postscript file ).

Main research topics:
Contrary to the common believe, the available density functionals are far from prefect. The main research focus is currently on improving the present density functionals by a more accurate inclusion of exchange (exact exchange) and correlation (random phase approximation to the correlation), and improving the scaling from cubic with system size to quadratic. This work is supported by the FWF within the START award.


November 1997    Erich Schmid Prize of the Austrian Academy of Science
September 2001   Ludwig Boltzmann Prize of the Austrian Physical Scociety
Juni 2003        Start Preis des Fonds zur Förderung der wissenschaftlichen Forschung (FWF)
September 2003   Hellman Preis der Internationalen Arbeitsgemeinschaft Theoretische Chemie

For more details I refer to my Curriculum Vitae and the List of Publications.
Georg Kresse <>
Page Last modified: Tue Feb 28, 2006