Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2015 - 2015
40 records
Talks and Poster Presentations (with Proceedings-Entry)
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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
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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).
More information
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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.
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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.
More information
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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)
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A. Tröster:
"Old and New in d=2";
Talk: Physics of Functional Materials,
University of Vienna, Vienna (invited);
04-16-2015.
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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.
-
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.
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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.
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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.
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M. Bichler, L. Felgitsch, V. Seidl-Seiboth, H. Grothe:
"Biological Ice Nucleation";
Talk: 16. Österreichische Chemietage 2015,
Innsbruck;
09-21-2015
- 09-24-2015.
More information
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K. Schwarz:
"Density functional theory and WIEN2k";
Talk: Workshop "Structure and Time-Resolution",
Frankfurt, Germany;
11-25-2015
- 11-27-2015.
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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
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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
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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.
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P. Blaha:
"NMR in molecules, insulators and metals";
Talk: SFB Vicom workshop 2015-II,
Vienna;
10-15-2015
- 10-16-2015.
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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.
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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.
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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.
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P. Blaha:
"Electron -‐ hole interactions in theoretical spectroscopy";
Keynote Lecture: Psi-k 2015,
San Sebastian, Spain (invited);
09-06-2015
- 09-10-2015.
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P. Blaha:
"Electron-hole interactions in theoretical XAFS calculations";
Keynote Lecture: XAFS16,
Karlsruhe, Germany (invited);
08-23-2015
- 08-28-2015.
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F. Tran:
"Advanced DFT, Hybrid-DFT, LDA+U and GW";
Keynote Lecture: 22nd WIEN2k workshop,
Singapore (invited);
06-24-2015
- 06-27-2015.
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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.
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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.
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P. Blaha:
"Subsurface Cation Vacancy Stabilization of the Magnetite (001) Surface";
Keynote Lecture: ICMAT 2015,
Singapore (invited);
06-28-2015
- 07-03-2015.
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P. Blaha:
"An overview of WIEN2k for beginners";
Keynote Lecture: 22nd WIEN2k workshop,
Singapore (invited);
06-24-2015
- 06-27-2015.
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K. Schwarz:
"Hyperfine Interactions";
Talk: 22nd WIEN2k workshop,
Singapore;
06-24-2015
- 06-27-2015.
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K. Schwarz:
"Magnetism (FM, FSM, AFM)";
Talk: 22nd WIEN2k workshop,
Singapore;
06-24-2015
- 06-27-2015.
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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.
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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.
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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.
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P. Blaha:
"DFT calculations for solids, surfaces and interfaces";
Talk: Seminar Materialwissenschaften, Universität Salzburg,
Salzburg (invited);
04-22-2015.
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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.
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E. McDermott:
"Surface Adsorbates and Defects on the Surface of Magnetite (001)";
Talk: ViCoM Spring meeting 2015,
Stadtschlaining;
04-08-2015
- 04-10-2015.
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P. Blaha:
"Approximations to exact exchange potentials in solids";
Talk: ViCoM Spring meeting 2015,
Stadtschlaining;
04-08-2015
- 04-10-2015.
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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.
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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.
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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.
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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.
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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.