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Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2007 - 2007

31 records


Talks and Poster Presentations (without Proceedings-Entry)

  1. P. Blaha:
    "Electronic structure, atomic forces, structural relaxations and phonons by WIEN2k";
    Keynote Lecture: 2nd Workshop on ab-initio phonon calculations, Krakov, Poland (invited); 12-06-2007 - 12-08-2007.
  2. K. Schwarz:
    "From crystal structures to material properties with WIEN2k";
    Talk: Ansys Conference, Dresden (invited); 11-21-2007.
  3. K. Schwarz:
    "Electronic structure calculations of large systems with WIEN2k";
    Talk: IFW-Kolloquium, Dresden (invited); 11-22-2007.
  4. K. Schwarz:
    "Computersimulationenen von Festkörpern und Oberflächen mit WIEN2k";
    Talk: Chemisch Physikalische Gesellschaft, Wien (invited); 10-23-2007.
  5. P. Blaha:
    "Density functional calculations for compounds with heavy elements";
    Keynote Lecture: Structural Chemistry of Actinide and Lanthanide Inorganic Compounds, St. Petersburg, Russland (invited); 09-29-2007 - 10-01-2007.
  6. M. Musso, A. Reinmüller, P. Knoll, H. Dittrich, K. Krenn, G. Schmidt, P. Blaha, K. Schwarz, C. Ambrosch-Draxl:
    "Raman spectroscopy of Stibnite (Sb2S3)";
    Poster: 57. Jahrestagung der Österreichischen Physikalischen Gesellschaft, Krems; 09-24-2007 - 09-28-2007.
  7. K. Schwarz:
    "DFT calculations of crystals and surfaces with WIEN2k";
    Keynote Lecture: 43rd Symposium on Theoretical Chemistry, Saarbrücken, Germany (invited); 09-16-2007 - 09-20-2007.
  8. P. Blaha:
    "Electronic structure calculations of solids with WIEN2k";
    Keynote Lecture: 2nd MATCOR Summer School: "Theory of the Electronic Structure of Materials", Königsfeld, Deuschland (invited); 09-16-2007 - 09-21-2007.
  9. P. Blaha:
    "Electronic and geometric structure of the h-BN/Rh(111) nanomesh";
    Keynote Lecture: Emmm 2007, Moskau, Russland (invited); 09-03-2007 - 09-07-2007.
  10. F. Tran, P. Blaha, K. Schwarz, P. Novak:
    "Implementation and test of various functionals for solid-state calculations";
    Poster: DFT07, Amsterdam, NL; 08-26-2007 - 08-30-2007.
  11. P. Blaha:
    "Theoretical simulations of the nanomesh";
    Talk: Nanomesh-S - Brainstorming meeting, Universität Zürich; 08-06-2007.
  12. P. Novak, I. Chaplygin, G. Seifert, S. Gemming, R. Laskowski:
    "Ab-initio calculations of exchange interactions in YMnO3";
    Talk: ICMAT 2007, Singapore; 07-01-2007 - 07-06-2007.
  13. P. Blaha, R. Laskowski, T. Gallauner, K. Schwarz:
    "Simulations of the h-BN/Rh(111) nanomesh";
    Keynote Lecture: ICMAT 2007, Singapore (invited); 07-01-2007 - 07-06-2007.
  14. R. Laskowski, P. Blaha, T. Gallauner, K. Schwarz:
    "BN nanomesh on metal surfaces - Single layer model";
    Talk: ICMAT 2007, Singapore; 07-01-2007 - 07-06-2007.
  15. R. Laskowski:
    "Optical properties, BSE, GW";
    Talk: 14th WIEN2k workshop, Singapore; 07-06-2007 - 07-09-2007.
  16. R. Laskowski:
    "Non-collinear Magnetism";
    Talk: 14th WIEN2k workshop, Singapore; 07-06-2007 - 07-09-2007.
  17. K. Schwarz:
    "h-BN/rh(111) nanomesh";
    Talk: 14th WIEN2k workshop, Singapore; 07-06-2007 - 07-09-2007.
  18. P. Blaha:
    "An overview of the WIEN2k package";
    Keynote Lecture: 14th WIEN2k workshop, Singapore (invited); 07-06-2007 - 07-09-2007.
  19. K. Schwarz:
    "Density functional theory and the concepts of the augmented plane wave method";
    Keynote Lecture: 14th WIEN2k workshop, Singapore (invited); 07-06-2007 - 07-09-2007.
  20. K. Schwarz:
    "How density functional calculations can help us to understand solids";
    Talk: Institute for High Performance Computing, Singapore, Singapore; 07-03-2007.
  21. K. Schwarz:
    "Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method";
    Keynote Lecture: WIEN2007 workshop, PennState University, College Park, PA, USA; 06-11-2007 - 06-14-2007.
  22. P. Blaha:
    "An overview of the new WIEN2k package.";
    Keynote Lecture: WIEN2007 workshop, PennState University, College Park, PA, USA; 06-11-2007 - 06-14-2007.
  23. K. Schwarz, P. Blaha:
    "Materials Science with WIEN2k";
    Talk: Aurora 2007 Conference on Scientific Computing, Wien; 06-18-2007 - 06-20-2007.
  24. R. Laskowski:
    "Boron-Nitride nanomesh";
    Talk: New Developments in Surface Science, TU Wien; 05-24-2007.
  25. K. Schwarz:
    "Von der Kristallstruktur zu Eigenschaften durch Computersimulationen";
    Talk: Physikalisches Kolloquium Kassel, Kassel, Germany (invited); 05-31-2007.
  26. K. Schwarz:
    "Nanomesh auf Metalloberflächen: ab initio Simulationen";
    Talk: Physikalisches Kolloquium der Universität Graz, Graz; 05-08-2007.
  27. P. Blaha:
    "WIEN2k";
    Keynote Lecture: Psi-k Training Graduate School, Bristol, UK; 03-25-2007 - 03-31-2007.
  28. P. Blaha:
    "Simulations of nanostructures and phase transitions using WIEN2k";
    Talk: IMPRS Seminar, MPI Physics of Complex Systems, Dresden; 04-11-2007.
  29. K. Schwarz:
    "Quantenmechanische Festkörpersimulation mit WIEN2k";
    Keynote Lecture: 16. Diskussionstagung Anorganisch-Technische Chemie, Frankfurt/Main (invited); 02-21-2007 - 02-22-2007.
  30. K. Schwarz:
    "DFT Simulations of surfaces with WIEN2k";
    Keynote Lecture: 1st IMPRS-CS workshop, Ringberg, Germany; 02-05-2007 - 02-09-2007.
  31. M. Musso, A. Reinmüller, P. Knoll, W. Lottermoser, P. Madl, H. Dittrich, G. Schmidt, P. Blaha, K. Schwarz, C. Ambrosch-Draxl, K. Krenn:
    "A Raman spectroscopic study of Stibnite (Sb2S3)";
    Poster: 22th workshop on "Novel materials and superconductors", Planneralm, Austria; 02-10-2007 - 02-17-2007.