Computational Quantum Chemistry Group - Home of WIEN2k
Ao. Univ. Prof. Dr. techn. Peter Blaha
Univ. Prof. i. R. Dr. phil. Karlheinz Schwarz
Institute of Materials Chemistry, Vienna University of Technology
Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
Phone: +43 1 58801 15670 Fax: +43 1 58801 15698
pblaha@theochem.tuwien.ac.at, kschwarz@theochem.tuwien.ac.at
http://www.imc.tuwien.ac.at
Research
- WIEN2k (APW+lo program package) » Details
- Parallel Computing (SFB AURORA) » Details
- The Nanomesh Project » Details
- Exchange and correlation functionals in solids;» Details
- Magnetsim in Solids and Compounds » Details
Staff
- Prof. Dr. Peter Blaha
- Prof. i.R. Dr. Karlheinz Schwarz
- Dr. Robert Laskowski
- Dr. Fabien Tran
- Dr. Hans-Peter Koch
- Dipl.-Ing. Thomas Gallauner
- Dipl.-Ing. Philipp Haas
- Dipl.-Ing. Evgeniya Kabliman
- Dipl.-Ing. David Kollar
- Former Staff » Details
- Collaborations » Details
Conferences
- 17th WIEN workshop and International Conference on Advanced Materials Modelling » Details
- Planneralm 2011 » Details
- Former Conferences » Details
Publication Highlights:
- Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential , Physical Review Letters 102, 226401 (2009)
- Surface Trapping of Atoms and Molecules with Dipole Rings , Science 319, 1824 (2008)
- Single-Layer Model of the Hexagonal Boron Nitride nanomesh on the Rh(111) surface , Physical Review Letters 98, 106802 (2007)
- The interface between silicon and a high-k oxide , Nature 427, 53 (2004)
All Publications:
- 2010, 2009, 2008, 2007, 2006, 2005, 2004, 2003, 2002, 2001, 2000, 1999, 1998, 1997, 1996, 1995, 1994