TU Home
This publication list has been generated automatically from the publication data of the Faculty of Chemistry. Please invoke the page "Publications of the Faculty" directly for more complex searches and queries, or use the global search function of the Publication Database of the Vienna University of Technology!


Publication Database Home  

Publication list for members of
E165 - Institute of Materials Chemistry
E165-TC (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.