Univ.-Prof. i. R. Dr. phil.

Karlheinz Schwarz

Karlheinz Schwarz

Corresponding Member of the Division of Mathematics and the Natural Sciences in Austria since 2001

  • Institut für Materialchemie, Technische Universität Wien

Contact:

Research Areas:

  • Chemistry
  • Theoretical chemistry
  • Materials chemistry
  • Catalysis
  • Quantum mechanics
  • Computersimulationen mit WIEN2k

Profile:

CV/Website

Selected Memberships:

  • The Royal Society of Sciences at Uppsala
  • American Physical Society
  • Österreichische Physikalische Gesellschaft
  • Gesellschaft Österreichischer Chemiker
  • Chemisch Physikalische Gesellschaft
  • Deutsche Bunsen-Gesellschaft

Selected Prizes:

  • Rudolf-Wegscheider-Preis der ÖAW
  • Kardinal-Innitzer-Preis
  • Sandoz-Preis
  • Silbernes Ehrenzeichen für Verdienste um das Land Wien
  • Wiener Ingenieurpreis

Selected Publications:

  • Schwarz, K.; Blaha, P.; Trickey, S. B. (2010) Electronic structure of solids with WIEN2k. Molecular Physics, Bd. 108, S. 3147-3166.
  • Först, C. J.; Ashman, Ch.; Schwarz, K.; Blöchl, P. E. (2004) Interfacing silicon with high-k oxides. Nature, Bd. 427, S. 53-56.
  • Blaha, P.; Schwarz, K.; Sorantin, P.; Trickey, S. B. (1990) Full potential, linearized augmented plane wave programs for crystalline solids. Computer Physics Communications, Bd. 59, S. 399-415.
  • Blaha, P.; Schwarz, K.; Herzig, P. (1985) First principles calculation of the electric field gradient of Li3N. Physical Review Letters, Bd. 54, S. 1192-1195.
  • Schwarz, K. (1972) Optimization of the statistical exchange parameter α for the free atoms H through Nb. Physical Review B, Bd. 5, S. 2466-2468.