Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2016 - 2016
38 records
Talks and Poster Presentations (with Proceedings-Entry)
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L. Felgitsch, M. Bichler, H. Grothe:
"Macromolecular Ice Nuclei of Biological Origin and their Possible Atmospheric Relevance";
Talk: 2nd International Conference on Atmospheric Dust,
Castellaneta Marina;
06-12-2016
- 06-17-2016; in: "Scientific Research Abstracts",
5
(2016),
ISBN: 978-88-7522-091-4;
54.
More information
Talks and Poster Presentations (without Proceedings-Entry)
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A. Tröster:
"High Precision MC/RG Study of Elastic Fluctuations in Solid Membranes";
Poster: MECO 41: Conference of the Middle European Cooperation in Statistical Physics,
Vienna;
02-14-2016
- 02-17-2016.
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S. Puchberger, V. Soprunyuk, W. Schranz, A. Tröster, E. Vives, E.K.H. Salje:
"Avalanche critical exponents in nanoporous systems under compression";
Poster: XXII Polish-Czech Seminar,
Hucisko, Poland;
05-16-2016
- 05-20-2016.
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V. Soprunyuk, S. Puchberger, W. Schranz, A. Tröster, E. Vives, E.K.H. Salje:
"Strain drop measurements of porous materials probing earthquake dynamics";
Poster: 8th International Conference on Multiscale Materials Modeling,
Dijon, France;
10-09-2016
- 10-14-2016.
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A. Tröster:
"High Precision MC/RG Study of Elastic Fluctuations in Solid Membranes";
Talk: DyProSo XXXV" 35th International Symposium on Dynamical Properties of Solids,
Freising, Germany (invited);
09-13-2016
- 09-17-2016.
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A. Tröster:
"Finite strain Landau theory applied to the high pressure phase transition of lead titanate";
Talk: E-MRS Fall meeting,
Warschau, Poland;
09-19-2016
- 09-22-2016.
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A. Tröster:
"Finite strain Landau theory applied to the high pressure phase transition of lead titanate";
Talk: Annual Meeting of The Austrian Physical Society,
Vienna;
09-27-2016
- 09-29-2016.
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A. Tröster:
"Finite strain Landau theory applied to the high pressure phase transition of lead titanate";
Talk: Vicom workshop 2016-II,
Vienna;
09-22-2016
- 09-23-2016.
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A. Tröster:
"The ferroelectric transition in lead titanate: high pressure physics at zero pressure?";
Talk: Physics of Functional Materials,
University of Vienna, Vienna (invited);
11-17-2016.
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A. Tröster:
"Finite strain Landau theory applied to the high pressure phase transition of lead titanate";
Talk: Johannes-Gutenberg-Universität Mainz,
Mainz, Germany (invited);
10-22-2016.
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G.K.H. Madsen:
"Green's function approach to thermal transport";
Talk: Nanoscale Thermal Transport II. Chalmers,
Schweden (invited);
10-07-2016.
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G.K.H. Madsen:
"New routes to thermoelectric half-Heusler compounds";
Talk: Thermoelectrics Colloquium,
Berlin (invited);
11-24-2016.
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L. Felgitsch, M. Bichler, A. Vogel, T. Häusler, H. Grothe:
"Biological particles capable of triggering ice nucleation in the atmosphere";
Talk: EGU General Assembly 2016,
Vienna;
04-17-2016
- 04-22-2016.
More information
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Z. Jakub, F. Kraushofer, M. Bichler, M. Setvin, J. Hulva, M. Schmid, U. Diebold, P. Blaha, G. Parkinson:
"Atomic scale studies of the Hematite (012) surface";
Poster: 2nd German-French Summer School on noncontact AFM,
Osnabrück/Germany;
09-12-2016.
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P. Blaha:
"DFT simulations of surfaces, interfaces and multilayers";
Talk: Physics of X-Ray and Neutron Multilayer Structures,
University Twente, Netherlands (invited);
11-10-2016
- 11-11-2016.
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S. Ehsan:
"Theoretical Study of the structural, elastic, electronic properties and phonon calculations in cubic and tetragonal phases of RbCaF3";
Poster: SFB Vicom Young-Researchers-Meeting 2016,
Vienna;
09-22-2016
- 09-23-2016.
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T. Ruh:
"Performance of Eigensolver Schemes used within the DFT package WIEN2k";
Poster: SFB Vicom Young-Researchers-Meeting 2016,
Vienna;
09-22-2016
- 09-23-2016.
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M. Bichler:
"DFT study of the (012) surface of hematite";
Talk: SFB Vicom Young-Researchers-Meeting 2016,
Vienna;
09-22-2016
- 09-23-2016.
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T. Ruh, C. Knoll, D. Müller, P. Weinberger, P. Blaha:
"DFT study of water adsorption on mixed (Mg,Ca)-Oxide surfaces";
Poster: ICAMM2016,
Rennes, France;
09-05-2016
- 09-07-2016.
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P. Blaha:
"Calculations of NMR shifts in insulating and metallic solids";
Keynote Lecture: ICAMM2016,
Rennes, France (invited);
09-05-2016
- 09-07-2016.
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P. Blaha:
"Theoretical Spectroscopy on Fullerenes";
Talk: 11th International Symposium on Computational Challenges and Tools for Nanotubes (CCTN16),
Vienna (invited);
08-13-2016.
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T. Ruh, P. Blaha:
"Evaluating Eigensolver Schemes within the Density Functional Theory Package WIEN2k";
Poster: 2016 International Conference on High Performance Computing&Simulation (HPCS 2016),
Innsbruck;
07-18-2016
- 07-22-2016.
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M. Bichler:
"DFT-study of the hematite (012) surface";
Talk: Solids4Fun Summerschool 2016,
Waidhofen an der Ybbs;
06-04-2016
- 06-08-2016.
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T. Ruh:
"Optimizing the Performance of WIEN2k";
Talk: Solids4Fun Summerschool 2016,
Waidhofen an der Ybbs;
06-04-2016
- 06-08-2016.
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K. Schwarz:
"Density functional theory: from Walter Kohn to simulations of solids using Wien2k";
Talk: Festkörperkolloquium der Fakultät Physik, TU München,
Munich, Germany (invited);
06-16-2016.
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F. Tran, J. Stelzl, P. Blaha:
"Accuracy of Density Functional Theory for Materials Properties";
Poster: 28th Canadian Materials Science Conference,
Hamilton, Canada;
06-07-2016
- 06-10-2016.
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P. Blaha:
"The magnetite (001) surface";
Keynote Lecture: 28th Canadian Materials Science Conference,
Hamilton, Canada (invited);
06-07-2016
- 06-10-2016.
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F. Tran:
"Advanced DFT, Hybrid-DFT, LDA+U, GW";
Talk: 23rd WIEN2k workshop,
Hamilton, Canada;
06-01-2016
- 06-07-2016.
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P. Blaha:
"An overview of the WIEN2k package for beginners";
Keynote Lecture: 23rd WIEN2k workshop,
Hamilton, Canada (invited);
06-01-2016
- 06-07-2016.
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K. Schwarz:
"Magnetism";
Talk: 23rd WIEN2k workshop,
Hamilton, Canada;
06-01-2016
- 06-07-2016.
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K. Schwarz:
"Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method";
Keynote Lecture: 23rd WIEN2k workshop,
Hamilton, Canada (invited);
06-01-2016
- 06-07-2016.
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T. Ruh:
"Evaluating the scaling behaviour of WIEN2k";
Talk: AHPC16,
Grundlsee;
02-22-2016
- 02-24-2016.
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F. Tran, P. Blaha:
"Rungs 1 to 4 of DFT Jacob's ladder: extensive test on the lattice constant, bulk modulus, and cohesive energy of solids";
Poster: Vicom-workshop 2016-I,
Stadtschlaining;
03-30-2016
- 03-31-2016.
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F. Tran:
"Approximations to the exact exchange potential: semilocal vs. KLI";
Talk: Vicom-workshop 2016-I,
Stadtschlaining;
03-30-2016
- 03-31-2016.
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M. Bichler, P. Blaha:
"Structure optimization of 2H-MoSe2 and 1T-MoSe2";
Poster: 31. Workshop on Novel Materials and Superconductivity,
Obertraun, Austria;
02-07-2016
- 02-13-2016.
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P. Blaha, F. Tran:
"Core-level Spectroscopy with all-electron DFT and WIEN2k";
Keynote Lecture: EUSpec Winter School on Core-level Spectroscopy,
Ajdovscina, Slowenia (invited);
02-01-2016
- 02-11-2016.
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P. Blaha:
"Wavefuctions and densities in WIEN2k";
Talk: Towards a Common Format for Computational Materials Science Data,
Lausanne, CH;
01-25-2016
- 02-05-2016.
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P. Blaha:
"A common energy zero for total energies";
Talk: Towards a Common Format for Computational Materials Science Data,
Lausanne, CH;
01-25-2016
- 02-05-2016.