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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
2008 - 2008

23 records

1. P. Blaha:
   "Unraveling the structure of h-BN / TM(111) nanomeshes with ab initio calculations";
   Keynote Lecture: 1st International Symposium on Advanced Microscopy and Theoretical Calculations, Nagoya, Japan (invited); 06-29-2008 - 06-30-2008; in: "Proceedings of the 1st International Symposium on Advanced Microscopy and Theoretical Calculations", AMTC Letters, 1 (2008), ISSN: 1882-9465; 144 - 145.
   
   

1. P. Blaha:
   "Unraveling the structure of the h-BN/Rh(111) nanomesh";
   Talk: CMS boardmeeting 2008, Wien; 11-28-2008 - 11-29-2008.
   
   
2. K. Schwarz:
   "Electronic Structure of solids and surfaces: WIEN2k";
   Keynote Lecture: International workshop on computational materials science, Cairo, Egypt (invited); 11-17-2008 - 11-20-2008.
   
   
3. F. Tran:
   "PBE+U Calculations of the Jahn-Teller Effect in PrO₂";
   Poster: CCP9 Conference 2008, Cambridge; 09-04-2008 - 09-05-2008.
   
   
4. R. Laskowski:
   "h-BN nanomesh on transition metal surfaces";
   Keynote Lecture: CCP9 Conference 2008, Cambridge (invited); 09-04-2008 - 09-05-2008.
   
   
5. P. Blaha:
   "Unraveling the structure of h-BN / TM(111) nanomeshes";
   Keynote Lecture: 9th International Conference on the Structure of Surfaces (ICSOS 9), Salvador, Brasil (invited); 08-03-2008 - 08-08-2008.
   
   
6. P. Blaha:
   "Wien2k Tutorial";
   Keynote Lecture: 1st International Workshop on Theoretical Calculations of Elnes and Xanes (TEX2008), Nagoya, Japan (invited); 07-02-2008 - 07-04-2008.
   
   
7. P. Blaha:
   "Electronic Structure and XANES/ELNES spectroscopy from DFT (WIEN2k) calculations";
   Keynote Lecture: 1st International Workshop on Theoretical Calculations of Elnes and Xanes (TEX2008), Nagoya, Japan (invited); 07-02-2008 - 07-04-2008.
   
   
8. K. Schwarz:
   "From crystal structure to materials properties with WIEN2k";
   Keynote Lecture: International Symposium on Structure-Property Relationships in Solid State Materials, Nantes (invited); 06-29-2008 - 07-03-2008.
   
   
9. R. Laskowski:
   "h-BN on different transition metals, recent progres by ab-initio calculations";
   Talk: Nanomesh - Final meeting of EU project, Orscholz, Germany; 06-22-2008 - 06-23-2008.
   
   
10. R. Laskowski:
    "h-BN on transition metal surfaces";
    Talk: Condensed Matter Seminar, University Aarhus, Aarhus, Denmark; 05-29-2008.
    
    
11. P. Blaha, K. Schwarz:
    "Materialsimalationen auf atomarer Skala";
    Talk: Austrian Grid 2 - Kickoff-Meeting, Linz; 04-16-2008.
    
    
12. P. Blaha:
    "APW based methods and the WIEN2k code";
    Talk: Center for Computational Materials Science, Wien (invited); 03-31-2008.
    
    
13. F. Tran:
    "Jahn-Teller distortion in PrO₂";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
14. K. Schwarz:
    "Nanomesh: h-BN on transition metal (111) surfaces";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
15. R. Laskowski:
    "Spin-orbit coupling and non-collinear magnetism";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
16. F. Tran:
    "LDA+U and forces";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
17. K. Schwarz:
    "Magnetism";
    Talk: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
18. P. Blaha:
    "An overview of the WIEN2k program";
    Keynote Lecture: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
19. K. Schwarz:
    "Density functional theory and the concepts of the augmented-plane-wave plos local orbitals method";
    Keynote Lecture: 15th WIEN - workshop, Vienna (invited); 03-25-2008 - 03-29-2008.
    
    
20. M. Fischer, T. Malcherek, U. Bismayer, P. Blaha, K. Schwarz:
    "Ab-initio calculation of structural instabilities in cadmium pyroniobate";
    Poster: 16. Jahrestagung der Deutschen Gesellschaft für Kristallographie, Erlangen, Deutschland; 03-03-2008 - 03-06-2008.
    
    
21. K. Schwarz:
    "Jahn-Teller distortions in PrO₂ and BN nanomesh on Rh(111)";
    Keynote Lecture: 23. Workshop on Novel Materials and Superconductivity, Planneralm (invited); 02-23-2008 - 03-01-2008.
    
    
22. K. Schwarz:
    "From crystal structure to materials properties with WIEN2k";
    Talk: Festkörper-Kolloquium Physik, TU München, München, Germany (invited); 01-24-2008.