Dresden 2011 – wissenschaftliches Programm

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17:15	O 22.1	High Temperature Thermal Conductivity from First Principles — •Christian Carbogno, Ramamurthy Ramprasad, and Matthias Scheffler

17:30	O 22.2	Representing Potential-Energy Landscapes by High-Dimensional Neural Networks — Nongnuch Artrith, Tobias Morawietz, and •Jörg Behler

17:45	O 22.3	Stress formulation within the FLAPW method — •Aaron Klüppelberg, Gustav Bihlmayer, and Stefan Blügel

18:00	O 22.4	Massively Parallel Real-Space DFT Calculations — •Paul Baumeister, Daniel Wortmann, Tomoya Ono, and Stefan Blügel

18:15	O 22.5	Tight-Binding Parameters from DFT Calculations: First Applications to Hydrocarbons — •Alexander Urban, Martin Reese, Matous Mrovec, Christian Elsässer, and Bernd Meyer

18:30	O 22.6	Localized resolution of identity for efficient Hartree-Fock exchange, based on numeric atom-centered orbitals — •Jürgen Wieferink, Volker Blum, Xinguo Ren, Patrick Rinke, and Matthias Scheffler

18:45	O 22.7	Accurate Calculation of the Single-Site Green Function in Relativistic Full-Potential Scattering — •Pascal Kordt, Rudolf Zeller, Phivos Mavropoulos, and Stefan Blügel

19:00	O 22.8	Wavefunction-based correlation method for metals: from bulk to surfaces and interfaces — •Elena Voloshina and Beate Paulus

19:15	O 22.9	Exchange an Correlation effects in photoemission spectroscopy: from semiconductors to transition metal oxides — •Matteo Guzzo, Matteo Gatti, Francesco Sottile, Pina Romaniello, Fausto Sirotti, John Rehr, and Lucia Reining