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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
2015 - 2015

40 records


Talks and Poster Presentations (with Proceedings-Entry)


  1. M. Bichler, L. Felgitsch, V. Seidl-Seiboth, H. Grothe:
    "Ice Nucleation Triggered by Biological Substances";
    Poster: EGU General Assembly 2015, Vienna; 04-12-2015 - 04-17-2015; in: "Geophysical Research Abstracts", ol. 17, EGU2015-1805 (2015).

    More information

  2. L. Felgitsch, M. Bichler, T. Häusler, V. Weiss, M. Marchetti-Deschmann, G. Allmaier, H. Grothe:
    "Molecular Ice Nucleation Activity of Birch Pollen";
    Poster: EGU General Assembly 2015, Vienna; 04-12-2015 - 04-17-2015; in: "Geophysical Research Abstracts", Vol. 17, EGU2015-1560 (2015).

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  3. L. Lukashuk, H. Li, N. Yigit, E. McDermott, E. Carlson, K. Föttinger, G. Rupprechter:
    "Operando X-ray Absorption Spectroscopy Studies of Co3O4 and CeO2-Co3O4 Catalysts during Preferential CO Oxidation";
    Poster: XII EuropaCat "Catalysis: Balancing the use of fossil and renewable resources", Kazan, Russland; 08-30-2015 - 09-04-2015; in: "EuropaCat XII", (2015), 389.

  4. I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
    "Initial surface oxidation of Zr: XPS, PEEM, FIM, FEM and DFT studies";
    Poster: ECOSS-31 31st European Conference on Surface Science, Barcelona; 08-31-2015 - 09-04-2015; in: "Book of Abstracts", (2015), 412.

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  5. I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
    "Bridging Scales in the Surface Oxidation of Zr: XPS, PEEM, FIM, FEM and DFT Studies";
    Poster: 7th International Workshop on Surface Physics, Trzebnica, Poland; 06-21-2015 - 06-25-2015; in: "7th International Workshop on Surface Physics, Program & Abstracts", (2015), 49.


Talks and Poster Presentations (without Proceedings-Entry)


  1. A. Tröster:
    "Old and New in d=2";
    Talk: Physics of Functional Materials, University of Vienna, Vienna (invited); 04-16-2015.

  2. A. Tröster:
    "High Precision MC/RG Study of Elastic Fluctuations in Solid Membranes";
    Talk: Austrian and Swiss Physical Socienty meeting, Vienna; 09-01-2015 - 09-04-2015.

  3. A. Tröster:
    "Fully Consistent Finite-Strain Landau Theory for High-Pressure Phase Transitions";
    Talk: Austrian and Swiss Physical Socienty meeting, Vienna; 09-01-2015 - 09-04-2015.

  4. R. Bliem, O. Gamba Vasquez, J. Pavelec, A. Zavodony, J. van der Hoeven, E. McDermott, M. Schmid, P. Blaha, U. Diebold, G. Parkinson:
    "Adsorption and reactivity of single metal adatoms at the Fe3O4(001) surface";
    Poster: SUNCAT Summer Institute 2015, Stannford/USA; 08-25-2015.

  5. M. Bichler, L. Felgitsch, V. Seidl-Seiboth, H. Grothe:
    "Biological Ice Nucleation";
    Talk: Workshop - Microphysics of ice clouds, Wien; 04-11-2015 - 04-12-2015.

  6. M. Bichler, L. Felgitsch, V. Seidl-Seiboth, H. Grothe:
    "Biological Ice Nucleation";
    Talk: 16. Österreichische Chemietage 2015, Innsbruck; 09-21-2015 - 09-24-2015.

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  7. K. Schwarz:
    "Density functional theory and WIEN2k";
    Talk: Workshop "Structure and Time-Resolution", Frankfurt, Germany; 11-25-2015 - 11-27-2015.

  8. L. Felgitsch, M. Bichler, T. Häusler, V. Weiss, M. Marchetti-Deschmann, G. Allmaier, H. Grothe:
    "Macromolecular ice nucleation activity of birch pollen";
    Talk: 16. Österreichische Chemietage 2015, Innsbruck; 09-21-2015 - 09-24-2015.

    More information

  9. L. Felgitsch, M. Bichler, T. Häusler, V. Weiss, M. Marchetti-Deschmann, J. Ofner, G. Allmaier, H. Grothe:
    "Molecular Surface Chemistry on Birch Pollen";
    Poster: ICCPA International Conference on Carbonaceous Particles in the Atmosphere, Lawrence Berkeley National Laboratory, Berkeley, California; 08-10-2015 - 08-13-2015.

    More information

  10. F. Tran, P. Blaha:
    "Improving the universality of the Becke-Johnon potential";
    Poster: SFB Vicom workshop 2015-II, Vienna; 10-15-2015 - 10-16-2015.

  11. P. Blaha:
    "NMR in molecules, insulators and metals";
    Talk: SFB Vicom workshop 2015-II, Vienna; 10-15-2015 - 10-16-2015.

  12. F. Tran, P. Blaha, M. Betzinger, S. Blügel:
    "Comparison between Exact Exchange and Semilocal Exchange Potentials: An All-Electron Study for Solids";
    Poster: DFT2015: 16th International Conference on Density Functional Theory and its Applications, Debrecen, Hungary; 08-31-2015 - 09-04-2015.

  13. O. Sipr, S. Khan, P. Blaha, H. Ebert, J. Minar:
    "A detailed view on the effect of the spin-orbit coupling on the magnetocrystalline anisotropy: case study of FePt";
    Poster: Psi-k 2015, San Sebastian, Spain; 09-06-2015 - 09-10-2015.

  14. X. Rocquefelte, K. Schwarz, P. Blaha, J. van den Brink:
    "High-pressure cupric oxide: a room-temperature multiferroic";
    Poster: Psi-k 2015, San Sebastian, Spain; 09-06-2015 - 09-10-2015.

  15. P. Blaha:
    "Electron -‐ hole interactions in theoretical spectroscopy";
    Keynote Lecture: Psi-k 2015, San Sebastian, Spain (invited); 09-06-2015 - 09-10-2015.

  16. P. Blaha:
    "Electron-hole interactions in theoretical XAFS calculations";
    Keynote Lecture: XAFS16, Karlsruhe, Germany (invited); 08-23-2015 - 08-28-2015.

  17. F. Tran:
    "Advanced DFT, Hybrid-DFT, LDA+U and GW";
    Keynote Lecture: 22nd WIEN2k workshop, Singapore (invited); 06-24-2015 - 06-27-2015.

  18. R. Laskowski, P. Blaha:
    "Computing NMR shielding by DFT and full potential all electron LAPW method";
    Talk: ICMAT 2015, Singapore; 06-28-2015 - 07-03-2015.

  19. F. Tran, M. Betzinger, P. Blaha, S. Blügel:
    "Comparison between Exact Exchange and Semilocal Exchange Potentials: An All-Electron Study for Solids";
    Poster: ICMAT 2015, Singapore; 06-28-2015 - 07-03-2015.

  20. P. Blaha:
    "Subsurface Cation Vacancy Stabilization of the Magnetite (001) Surface";
    Keynote Lecture: ICMAT 2015, Singapore (invited); 06-28-2015 - 07-03-2015.

  21. P. Blaha:
    "An overview of WIEN2k for beginners";
    Keynote Lecture: 22nd WIEN2k workshop, Singapore (invited); 06-24-2015 - 06-27-2015.

  22. K. Schwarz:
    "Hyperfine Interactions";
    Talk: 22nd WIEN2k workshop, Singapore; 06-24-2015 - 06-27-2015.

  23. K. Schwarz:
    "Magnetism (FM, FSM, AFM)";
    Talk: 22nd WIEN2k workshop, Singapore; 06-24-2015 - 06-27-2015.

  24. K. Schwarz:
    "Density Functional Theory and the concepts of the APW+lo method";
    Keynote Lecture: 22nd WIEN2k workshop, Singapore (invited); 06-24-2015 - 06-27-2015.

  25. I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
    "Initial stages of Zr surface oxidation: XPS, PEEM, FIM, FEM and DFT studies";
    Poster: International SFB FOXSI Symposium 2015, TUtheSky Lounge, TU Vienna; 05-11-2015 - 05-13-2015.

  26. I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
    "Surface Oxidation of Zr: PEEM, FIM, XPS and DFT Study";
    Poster: 4rd Annual FOXSI PhD Workshop, Haus im Ennstal; 03-29-2015 - 04-01-2015.

  27. P. Blaha:
    "DFT calculations for solids, surfaces and interfaces";
    Talk: Seminar Materialwissenschaften, Universität Salzburg, Salzburg (invited); 04-22-2015.

  28. K. Schwarz:
    "The WIEN2k program: From the atomic structure to properties of solids and surfaces";
    Talk: Physics seminar, University Würzburg, Würzburg, Germany (invited); 04-17-2015.

  29. E. McDermott:
    "Surface Adsorbates and Defects on the Surface of Magnetite (001)";
    Talk: ViCoM Spring meeting 2015, Stadtschlaining; 04-08-2015 - 04-10-2015.

  30. P. Blaha:
    "Approximations to exact exchange potentials in solids";
    Talk: ViCoM Spring meeting 2015, Stadtschlaining; 04-08-2015 - 04-10-2015.

  31. E. McDermott, R. Bliem, G. Parkinson, U. Diebold, P. Blaha:
    "Surface Adsorbates and Defects on the Subsurface Cation Vacancy Stabilized Surface of Magnetite (001)";
    Talk: 79. Jahrestagung der DPG und DPG-Frühjahrstagung, Berlin, Germany; 03-15-2015 - 03-20-2015.

  32. F. Tran, M. Betzinger, P. Blaha, S. Blügel:
    "Comparison between exact and semilocal exchange potentials: An all-electron study for solids";
    Talk: 79. Jahrestagung der DPG und DPG-Frühjahrstagung, Berlin; 03-15-2015 - 03-20-2015.

  33. R. Bliem, O. Gamba Vasquez, J. Pavelec, E. McDermott, M. Schmid, P. Blaha, U. Diebold, G. Parkinson:
    "Characterizing metal adsorption at the Fe3O4 (001) surface";
    Poster: 30. Workshop on Novel Materials and Superconductivity, Obertraun, Austria; 02-08-2015 - 02-14-2015.

  34. P. Blaha:
    "Theory of NMR chemical shifts";
    Keynote Lecture: 30. Workshop on Novel Materials and Superconductivity, Obertraun, Austria (invited); 02-08-2015 - 02-14-2015.

  35. P. Blaha:
    "Density Functional Theory studies of Solids and Surfaces";
    Keynote Lecture: 16th Solid-State Day, Zentrum für Festkörperchemie und neue Materialien, Hannover, Deutschland (invited); 01-30-2015.