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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
2013 - 2013

19 records


Talks and Poster Presentations (without Proceedings-Entry)


  1. P. Wissgott, E. Assmann, J. Kunes, A. Toschi, P. Blaha, K. Held:
    "woptic: optical conductivity with Wannier functions and adaptive k-mesh refinement";
    Poster: 28th Workshop on Novel Materials and Superconductivity, Planneralm, Österreich; 02-09-2013 - 02-16-2013.

  2. E. McDermott:
    "Electronic Structure Study of Photocatalysts by Soft X-Ray Spectroscopy and Density Functional Theory";
    Poster: Solids4Fun Summer School 2013, Hernstein; 07-08-2013 - 07-12-2013.

  3. F. Tran:
    "Nonlocal van der Waals functionals: The case of rare-gas dimers and solids";
    Talk: SFB Vicom workshop 2013-2, Stadtschlaining; 11-12-2013 - 11-13-2013.

  4. P. Blaha:
    "Highlights and future plans of P07";
    Talk: SFB Vicom workshop 2013-2, Stadtschlaining; 11-12-2013 - 11-13-2013.

  5. P. Blaha:
    "Introduction of DFT calculations for solids and surfaces";
    Keynote Lecture: DPG SPP 1613: Summer School Solar H2, Ellwangen, Germany (invited); 10-06-2013 - 10-09-2013.

  6. P. Blaha:
    "The F-center in LiF";
    Keynote Lecture: 18th ETSF Workshop on Electronic Excitations, Luxembourg (invited); 10-01-2013 - 10-04-2013.

  7. P. Blaha:
    "Introduction to WIEN2k";
    Keynote Lecture: ERC Workshop: Ab initio Dynamical Vertex Approximation, Baumschlagerberg, Vorderstoder (invited); 09-01-2013 - 09-04-2013.

  8. P. Blaha:
    "An overview of the new WIEN2k package";
    Keynote Lecture: 20th Wienk-workshop, Pennstate University, PA, USA (invited); 08-12-2013 - 08-16-2013.

  9. K. Schwarz:
    "Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method";
    Keynote Lecture: 20th Wienk-workshop, Pennstate University, PA, USA (invited); 08-12-2013 - 08-16-2013.

  10. P. Blaha:
    "Xanes and EELS calculations of L2,3 edges in transition-metal compounds";
    Keynote Lecture: 38th Conference on Vacuum Ultraviolet and X-ray Physics (VUVX2013), Hefei, China (invited); 07-12-2013 - 07-19-2013.

  11. K. Schwarz:
    "Electronic structure and the Wien Program";
    Talk: Symposium zum 70. Geburtstag von W. Hanke, Würzburg, Germany (invited); 07-19-2013.

  12. R. Kosak, P. Blaha, G. Parkinson, Z. Novotny, U. Diebold:
    "Adsorption of Pd and Au over Fe3O4 (001) surface";
    Poster: Recent Electronic-Structure Theories and Related Experiments, Stuttgart, Germany; 06-12-2013 - 06-15-2013.

  13. K. Schwarz:
    "How theory can contribute to materials science illustrated with WIEN2k calculations";
    Talk: Solid State Physics Seminar, ETH Zürich, Zürich, CH (invited); 05-30-2013.

  14. R. Kosak, P. Blaha, G. Parkinson, Z. Novotny, U. Diebold:
    "Investigation of Pd mobility on the Fe3O4(001) surface due to CO";
    Poster: COST Action CM1104 "Reducible oxide chemistry, structure and functions" Working Groups Meeting, Vienna, Austria; 04-18-2013 - 04-19-2013.

  15. D. Vogel, C. Spiel, R. Schlögl, Y. Suchorski, G. Rupprechter:
    "Spatially-resloved kinetics by PEEM in catalytic CO oxidation on low-index Pt and Pd surfaces";
    Poster: 28. Planneralm Workshop "Novel Materials and Superconductivity", Universitätssportheim Planneralm; 02-09-2013 - 02-16-2013.

  16. F.P. Tiwald, F. Karsai:
    "Calculations of the F-center in LiF";
    Talk: Vicom workshop 2013-1, Vienna, Austria; 04-04-2013 - 04-05-2013.

  17. D. Koller:
    "Hybrid-DFT with an optimized mixing parameter";
    Talk: Vicom workshop 2013-1, Vienna, Austria; 04-04-2013 - 04-05-2013.

  18. K. Schwarz:
    "Electronic structure of solids and surfaces with Wien2k";
    Talk: Anorganisch-Chemisches Kolloquium, RWTH Aachen, Aachen, Germany (invited); 04-12-2013.

  19. P. Blaha:
    "All-electron calculations of core and valence EELS";
    Talk: Computational Methods in Transition Electron Microcopy, Schloss Ringberg, Tegernsee, Deutschland (invited); 01-23-2013 - 01-26-2013.