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 list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2012 - 2012

28 records

1. W. Hetaba, S. Löffler, P. Blaha, F. Tran, M. Stöger-Pollach:
   "EELS of NiO: Advantages of core-hole calculations using the modified Becke-Johnson potential";
   Poster: 15th European Microscopy Congress, Manchester, UK; 09-16-2012 - 09-21-2012; in: "Proceedings of the 15th European Microscopy Congress", D.J. Stokes, W.M. Rainforth (ed.); The Royal Microscopical Society, Vol. 2: Physical Sciences: Tools and Techniques (2012), ISBN: 978-0-9502463-6-9; 707 - 708.
   
   

1. E. Assmann, P. Blaha, K. Held, S. Okamoto, G. Sangiovanni:
   "Oxide Heterostructures for Efficient Solar Cells";
   Poster: ViCom Workshop 2012, Schlaining; 12-11-2012.
   
   
2. G. Sangiovanni, E. Assmann, P. Blaha, K. Held, S. Okamoto:
   "Theoretical Study of Orbital-, Spin- and Charge-Reconstruction in LVO/STO Heterostructures";
   Talk: Nature Conference: Frontiers in Electronic Materials, Aachen/Germany; 06-18-2012.
   
   
3. E. Assmann, G. Sangiovanni, R. Laskowski, P. Blaha, K. Held, S. Okamoto:
   "Bulk and interface properties of Lantanum vanadate: Correlated Heterostructures for Fun and Profit";
   Talk: 27. Workshop on Novel Materials and Superconductors 2012, Planneralm; 02-12-2012 - 02-18-2012.
   
   
4. P. Blaha:
   "DFT based simulations of solids using WIEN2k";
   Talk: Colloquium at Université Pierre et Marie Curie, Paris, Fr (invited); 12-04-2012.
   
   
5. R. Laskowski, P. Blaha:
   "Origin of NMR chemical shifts";
   Talk: SFB Vicom 2012-2, Stadtschlaining; 12-11-2012 - 12-12-2012.
   
   
6. R. Laskowski:
   "X-ray spectroscopy from first principles: single electron approach and beyond";
   Keynote Lecture: Workshop: "Some aspects of Nanotechnologies", TU Ostrava, Czech Republic (invited); 10-23-2012.
   
   
7. P. Blaha:
   "Calculations of NMR chemical shifts and quadrupole splittings in inorganic solids";
   Talk: Seminar Chemie, RWTH Aachen, Aachen, Germany (invited); 10-11-2012 - 10-12-2012.
   
   
8. R. Laskowski:
   "Interpretation of NMR chemical shifts";
   Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
   
   
9. K. Schwarz:
   "Large scale applications with WIEN2k";
   Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
   
   
10. R. Laskowski:
    "Optical properties, core level spectroscopy with WIEN2k";
    Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
    
    
11. K. Schwarz:
    "Magnetism";
    Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
    
    
12. P. Blaha:
    "An overview of the WIEN2k package for beginners";
    Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
    
    
13. K. Schwarz:
    "Density functional theory and the concepts of the augmented plane wave plus local orbitals method";
    Talk: 19th WIEN2k workshop, Tokyo, Japan; 09-03-2012 - 09-07-2012.
    
    
14. P. Blaha:
    "DFT Tutorium (Wien2k)";
    Talk: Bandstructure meets Many Body Theory, Vienna (invited); 09-18-2012 - 09-22-2012.
    
    
15. P. Blaha:
    "DFT calculations for surfaces and interfaces";
    Keynote Lecture: SFB FOXSI: Annual Symposium, Stadtschlaining (invited); 09-26-2012 - 09-28-2012.
    
    
16. P. Blaha:
    "Interpretation of NMR and XAS spectroscopies by ab initio calculations";
    Keynote Lecture: SPSSM-4 (4th International Symposium on Strucutre-Property Relationships in Solid State Materials), Bordeaux, France (invited); 06-24-2012 - 06-29-2012.
    
    
17. R. Laskowski, P. Blaha:
    "Interpretation of the NMR chemical shifts in alkali fluorides by ab-initio calculations";
    Keynote Lecture: ICAMM 2012 (International Conference on Advanced Modelling), Nantes, France (invited); 06-11-2012 - 06-16-2012.
    
    
18. K. Schwarz:
    "From formalism via computer simulations towards novel materials";
    Talk: Electronic structure theory for materials modelling: from early days to current success, Stockholm; 06-11-2012.
    
    
19. F. Tran:
    "Hybrid functionals in WIEN2k: implementation and applications";
    Talk: SFB Vicom 2012-1, Wien; 04-12-2012 - 04-13-2012.
    
    
20. H. Koch:
    "Adsorption of Au atoms on the h-BN/Rh(111) nanomesh";
    Talk: SFB Vicom 2012-1, Wien; 04-12-2012 - 04-13-2012.
    
    
21. R. Laskowski, P. Blaha:
    "Implementation of NMR into the LAPW method";
    Talk: 76. Jahrestagung der DPG und DPG Frühjahrstagung, Berlin; 03-25-2012 - 03-30-2012.
    
    
22. H. Koch, R. Laskowski, P. Blaha:
    "Adsorption of Au atoms on the h-BN/Rh(111) nanomesh";
    Talk: 76. Jahrestagung der DPG und DPG Frühjahrstagung, Berlin; 03-25-2012 - 03-30-2012.
    
    
23. E. Kabliman, A. Ruban, O. Peil, P. Blaha, K. Schwarz, B. Johansson:
    "Ab initio-based mean field theory of site occupation in binary sigma phases";
    Talk: 76. Jahrestagung der DPG und DPG Frühjahrstagung, Berlin; 03-25-2012 - 03-30-2012.
    
    
24. D. Koller, F. Tran, P. Blaha:
    "Analysis and Improvement of the modified Becke-Johnson exchange potential";
    Poster: 76. Jahrestagung der DPG und DPG Frühjahrstagung, Berlin; 03-25-2012 - 03-30-2012.
    
    
25. F. Tran, D. Koller, F. Karsai, P. Blaha, A. Botana:
    "Hybrid functionals in WIEN2k: implementation and applications";
    Talk: 76. Jahrestagung der DPG und DPG Frühjahrstagung, Berlin; 03-25-2012 - 03-30-2012.
    
    
26. F. Karsai:
    "F-centers in LiF";
    Talk: Seminar Theoretische Physik, TU Wien, Wien; 02-24-2012.
    
    
27. P. Blaha:
    "Materials Science with WIEN2k on VSC-1 and VSC-2";
    Talk: VSC workshop, Neusiedl/See (invited); 02-27-2012 - 02-28-2012.