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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
2004 - 2004

25 records


Talks and Poster Presentations (without Proceedings-Entry)


  1. B. Olejnik:
    "Nonlinear optics with Wien2k";
    Talk: TMR-workshop on FLAPW development, Jülich, D (invited); 12-10-2004 - 12-11-2004.

  2. P. Blaha:
    "Phonons and Phasetransitions";
    Talk: TMR-workshop on FLAPW development, Jülich, D (invited); 12-10-2004 - 12-11-2004.

  3. P. Blaha:
    "Electronic structure, atomic forces and structural relaxations by WIEN2k";
    Talk: Workshop on ab initio phonon calculations, Cracow, Pl (invited); 12-02-2004 - 12-04-2004.

  4. P. Blaha:
    "Planning of the new Aurora-cluster";
    Poster: 10th Aurora plenary meeting, Pöllauberg, Stmk; 11-26-2004 - 11-28-2004.

  5. J. Schweifer:
    "Working with W2grid";
    Talk: 10th Aurora plenary meeting, Pöllauberg, Stmk; 11-26-2004 - 11-28-2004.

  6. K. Schwarz:
    "An LDA+U study of magnetic and orbital ordering in BaCoO3";
    Talk: 2nd Int.Workshop: Ordering Phenomena in Transition Metal Oxides, Wildbad Kreuth, Germany (invited); 09-26-2004 - 09-29-2004.

  7. C. Först, C. Ashman, K. Schwarz, P. Blöchl:
    "The SrTiO3/Si Interface: Insights from Ab-Initio Simulations";
    Talk: CECAM workshop: Atomic processes at semiconductor-oxide interfaces in microelectronic devices, Lyon, France (invited); 09-13-2004 - 09-15-2004.

  8. M. Iglesias, A. M. Rodriguez, P. Blaha, D. Baldomir, M. Pereiro, J. Botana, J. Arias, K. Schwarz:
    "Ab initio electronic structure of rare earth orthoferrites";
    Poster: JEMS'04 (Joint European Magnetism Symposium), Dresden, Germany; 09-05-2004 - 09-10-2004.

  9. V. Pardo, P. Blaha, M. Iglesias, D. Baldomir, K. Schwarz, M. Pereiro, J. Botana, J. Arias:
    "Ab initio study of magnetic and orbital ordering in BaCoO3";
    Talk: JEMS'04 (Joint European Magnetism Symposium), Dresden, Germany; 09-05-2004 - 09-10-2004.

  10. V.N. Strocov, R. Claessen, P. Blaha:
    "Photoemission final states in Bi2212: Diffraction effects in the shadow Fermi surface";
    Poster: 16th Int. Vacuum Congress, Venice, Italy; 06-28-2004 - 07-02-2004.

  11. B. Olejnik:
    "Non-linear Optics and Second Harmonics generation";
    Talk: Wien2k workshop: WIEN2004, PennState University, State College, USA (invited); 07-12-2004 - 07-15-2004.

  12. P. Blaha:
    "An overview of WIEN2k";
    Talk: Wien2k workshop: WIEN2004, PennState University, State College, USA (invited); 07-12-2004 - 07-15-2004.

  13. K. Schwarz:
    "DFT and the APW+lo method";
    Talk: Wien2k workshop: WIEN2004, PennState University, State Collage, USA (invited); 07-12-2004 - 07-15-2004.

  14. P. Blaha:
    "Unxepected structure and chemical bonding in Pyrochlore Y2Nb2O7";
    Talk: GRC Conference: Electron Distribution and Chemical Bonding, Mount Holyoke College, MA, USA (invited); 07-04-2004 - 07-09-2004.

  15. P. Blaha:
    "WIEN2k and the APW+lo method";
    Talk: International School on Synchrotron Radiation 2004, Beijing, China (invited); 06-21-2004 - 06-26-2004.

  16. K. Schwarz, C. Först:
    "Material for future transistors, Strontiumtitanate on Silicon";
    Talk: 9th AURORA Plenary Meeting, Strobl/Wolfgangsee (invited); 06-04-2004 - 06-06-2004.

  17. J. Schweifer:
    "Functionaity of W2grid";
    Talk: 9th AURORA Plenary Meeting, Strobl/Wolfgangsee (invited); 06-04-2004 - 06-06-2004.

  18. K. Schwarz:
    "Dichtefunktionaltheorie für moderne Materialien";
    Talk: GDCh-Kolloquium Hannover, Universität Hannover (invited); 05-27-2004.

  19. C. Först:
    "Ab-initio Simulation des Wachstums von high-k Oxiden auf Silizium: Die SrTiO3/Si Grenzflche";
    Talk: Graduiertenkolleg TU Darmstadr, Darmstadt, Deutschland (invited); 05-07-2004.

  20. K. Schwarz:
    "Elektronische Struktur und Eigenschaften von Festkörpern";
    Talk: Augsburger Physikalisches Kolloquium, Augsburg, Deutschland (invited); 04-26-2004.

  21. J. Schweifer, K. Schwarz, P. Blaha:
    "W2Grid, a grid computing infrastructure for WIEN2k";
    Poster: 19. Workshop on Novel Materials and Superconductivity, Planneralm; 02-22-2004 - 02-28-2004.

  22. V. Pardo, P. Blaha, K. Schwarz, M. Iglesias, D. Baldomir, J. Arias:
    "Magnetic structure and orbital ordering in BaCoO3 using WIEN2k";
    Poster: 19. Workshop on Novel Materials and Superconductivity, Planneralm; 02-22-2004 - 02-28-2004.

  23. C. Först:
    "Materials for future transistors: The interface netween silicon and strontium titanate";
    Talk: 19. Workshop on Novel Materials and Superconductivity, Planneralm, Austria (invited); 02-22-2004 - 02-28-2004.

  24. K. Schwarz:
    "Fundamentals of DFT and the Program WIEN2k";
    Talk: Computational Crystallography Workshop 2004, Aachen (invited); 02-08-2004 - 02-10-2004.

  25. C. Först:
    "Simulation des Kristallwachstums von SrTiO3 auf Si";
    Talk: Seminarreihe Institut für Materialchemie, Wien (invited); 01-14-2004.