Karlheinz Schwarz
Corresponding Member of the Division of Mathematics and Natural Sciences in Austria since 2001
- Institut für Materialchemie, Technische Universität Wien
Contact:
kschwarz(at)theochem.tuwien.ac.at
Research Areas:
- Chemistry
- Theoretical chemistry
- Materials chemistry
- Catalysis
- Quantum mechanics
- Computersimulationen mit WIEN2k
Profile:
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 a for the free atoms H through Nb. Physical Review B, Bd. 5, S. 2466-2468.