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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 165300     Fax: +43 1 58801 165982,

Office: "Hochhaus 1st floor"; BA 01-162


  • WIEN2k (APW+lo program package)  »  Details
  • The Nanomesh Project  »  original project; Au on the nanomesh
  • SFB F-41, "ViCoM": Electronic Structure of Solids, Surfaces and Nanostructures (Exchange and correlation in solids);»  Details
  • Magnetism in Solids and Compounds  »  Details
  • Parallel and Grid Computing (SFB AURORA and Austrian Grid)  »  Details


Open Positions

  • PhD position in our WIEN2k-group: "Development and Implementation of the Stress tensor into WIEN2k and applications using a new approach for the description of high pressure phase transitions based on coupling nonlinear elasticity theory to Landau theory". Excellent background in Mathematics and Physics required. Please apply to PD Dr. Andreas Tröster ( and include in the subject line: "YourLastName: Application for PhD Position". The position is available starting from Aug. 1, 2015, and the exact starting date is negotiable. )

  • Conferences

    • Obertraun 2016 »  Details
    • 22nd WIEN2k workshop  in Singapore;»  Details
    • Former Conferences »  Details

    Publication Highlights:

    All Publications:


    TU Vienna | Institute of Materials Chemistry | Getreidemarkt 9/165 | A-1060 Vienna
    Phone: +43 (01)58801-16501 | Fax: +43 (01) 58801-16599   —  Update: