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Publication list for members of
E165 - Institute of Materials Chemistry
E165-TC (Theoretical chemistry)
as authors or essentially involved persons
Talks and Poster Presentations
2009 - 2009

30 records


Talks and Poster Presentations (with Proceedings-Entry)


  1. Y. Suchorski, W. Drachsel, C. Spiel, D. Vogel, R. Schlögl, G. Rupprechter:
    "Along the complexity axis in catalytic CO oxidation on Pt: single crystal, polycrystalline foil, model of a catalytic particle";
    Poster: ÖPG, SPS, ÖGA Gemeinsame Jahrestagung in Innsbruck, Innsbruck; 09-02-2009 - 09-04-2009; in: "ÖPG, SPS, ÖGA Gemeinsame Jahrestagung in Innsbruck", 59 (2009), 224.

  2. C. Spiel, D. Vogel, Y. Suchorski, W. Drachsel, R. Schlögl, G. Rupprechter:
    "From single crystals to domain systems: catalytic CO oxidation on Pt";
    Talk: 13th Austrian Chemistry Days 2009, Joint Meeting of the Czech, Slovak & Austrian Chemical Societies, Wien; 08-24-2009 - 08-27-2009; in: "13th Austrian Chemistry Days 2009, Joint Meeting of the Czech, Slovak & Austrian Chemical Societies", (2009), 6.

  3. C Weilach, C. Spiel, G. Rupprechter:
    "The interaction of CO with a Zn/Pd(111) surface alloy";
    Poster: Bunsentagung 2009, 108. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Köln, Germany; 05-21-2009 - 05-23-2009; in: "Bunsentagung 2009, Hauptthema: Physical Chemistry of Solids: the Science behind Materials Engineering", (2009), 373.

  4. K. Schwarz:
    "How mathematics can speed up quantum mechanical calculations of solids";
    Talk: 6th Vienna Conference on Mathematical Modelling MATHMOD 2009, Vienna (invited); 02-11-2009 - 02-13-2009; in: "Mathmod Vienna09", ARGESIM Reports, 34 (2009), ISBN: 978-3-901608-34-6; 386.


Talks and Poster Presentations (without Proceedings-Entry)


  1. D. Vogel, C. Spiel, Y. Suchorski, W. Drachsel, R. Schlögl, G. Rupprechter:
    "PEEM microscopy of catalytic CO oxidation on polycrystalline Pt";
    Talk: 9th Palladium Day (organized by Fritz Haber-Institut Berlin, TU Wien Institut für Materialchemie, Uni Innsbruck Physikalische Chemie), Wien, Austria; 10-19-2009 - 10-20-2009.

  2. K. Schwarz:
    "Electronic structure of solids and surfaces: WIEN2k";
    Keynote Lecture: DFT meets Solid State Chemistry & 8th Tutorial Hands-on-FPLO, Dresden, Germany (invited); 10-25-2009 - 10-29-2009.

  3. R. Laskowski:
    "Calculating binding energies of excitons within DFT-BSE formalism in wurzite semiconductors";
    Keynote Lecture: 3rd Workshop on Novel Methods for Electronic Structure Calculations, La Plata, Argentina (invited); 10-14-2009 - 10-16-2009.

  4. P. Blaha:
    "Materials Science with WIEN2k: accuracy, efficiency and new features";
    Keynote Lecture: 3rd Workshop on Novel Methods for Electronic Structure Calculations, La Plata, Argentina (invited); 10-14-2009 - 10-16-2009.

  5. E. Kabliman:
    "Ab initio study of the (PbS)1.13TaS2 misfit layer compound";
    Talk: Dep.Physics, South Urals State University, Chelyabinsk, Russia; 09-18-2009.

  6. E. Kabliman:
    "Structural and magnetic properties of the Fe-C σ-phase";
    Talk: Dep.Physics, South Urals State University, Chelyabinsk, Russia; 09-25-2009.

  7. E. Kabliman:
    "Structural and magnetic properties of the Fe-C σ-phase";
    Talk: Modern computational approaches in iron based alloys, Ekaterinenburg, Russia; 10-01-2009 - 10-03-2009.

  8. R. Laskowski:
    "Electron-hole correlations in solids";
    Talk: Workshop CompMat'09, Stadtschlaining; 10-05-2009.

  9. F. Tran, P. Blaha, K. Schwarz:
    "Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential";
    Poster: DFT09, Lyon, France; 08-31-2009 - 09-04-2009.

  10. P. Haas, F. Tran, P. Blaha, K. Schwarz:
    "Insight into the performance of (recently proposed) GGA functionals";
    Poster: DFT09, Lyon, France; 08-31-2009 - 09-04-2009.

  11. P. Blaha:
    "Verwey Transition and Mössbauer Parameters in YBaFe2O5";
    Keynote Lecture: ICAME 2009, International Conference on the Application of the Mössbauer Effect, Vienna (invited); 07-19-2009 - 07-24-2009.

  12. F. Tran:
    "Advanced GGAs";
    Talk: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  13. K. Schwarz:
    "Large scale applications with WIEN2k";
    Talk: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  14. F. Tran:
    "LDA+U, Hybrid-DFT";
    Talk: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  15. K. Schwarz:
    "Magnetism (FM, FSM, AFM).";
    Talk: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  16. P. Blaha:
    "An overview of the new WIEN2k package";
    Keynote Lecture: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  17. K. Schwarz:
    "Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method";
    Keynote Lecture: 16th WIEN2k workshop: WIEN2009@PennState, PennState University, State College, PA, USA (invited); 06-23-2009 - 06-26-2009.

  18. C Weilach, C. Spiel, G. Rupprechter:
    "Carbonate type species on alumina model catalysts";
    Poster: COST Action D41 Winter School 2009 "Methods to characterize oxide surfaces" corr, Berlin, Germany; 02-23-2009 - 02-27-2009.

  19. E. Kabliman:
    "FeCr sigma phase";
    Talk: Applied Materials Physics, Royal Institute of Technology, Stockholm; 04-29-2009.

  20. K. Schwarz, P. Blaha, R. Laskowski:
    "A new iterative diagonalization for WIEN2k";
    Talk: Projektkoordinierungstreffen AGRID-2, Linz; 04-28-2009.

  21. P. Blaha:
    "Magnetic and charge order phase transition in YBaFe2O5";
    Talk: Psi-k meeting: "Magnetism in complex systems", Wien (invited); 04-16-2009 - 04-18-2009.

  22. P. Blaha:
    "EFG calculations using WIEN2k";
    Talk: Workshop: "Understanding inorganic materials with the help of NMR spectroscopy and electronic structure calculations", Dresden (invited); 03-24-2009 - 03-25-2009.

  23. P. Blaha:
    "The structure of the h-BN/Rh(111) nanomesh";
    Talk: Mini Symposium on Materials Theory, Uppsala University, Sweden (invited); 03-05-2009.

  24. E. Kabliman, A. Mirzoev, A. Udovsky:
    "Fe-Cr σ phase";
    Poster: 24. Workshop "Novel Materials and superconductors, Planneralm; 02-21-2009 - 02-28-2009.

  25. P. Blaha:
    "Charge order and valence mixed YBaFe2O5 (Verwey transition)";
    Keynote Lecture: 24. Workshop "Novel Materials and superconductors, Planneralm (invited); 02-21-2009 - 02-28-2009.

  26. P. Blaha:
    "Computational Materials Science with the WIEN2k code";
    Talk: Computational Science and Engineering Workshop CSE2009, Rust; 01-08-2009 - 01-09-2009.