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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
2016 - 2016

38 records


Talks and Poster Presentations (with Proceedings-Entry)


  1. 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)


  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. G.K.H. Madsen:
    "Green's function approach to thermal transport";
    Talk: Nanoscale Thermal Transport II. Chalmers, Schweden (invited); 10-07-2016.

  11. G.K.H. Madsen:
    "New routes to thermoelectric half-Heusler compounds";
    Talk: Thermoelectrics Colloquium, Berlin (invited); 11-24-2016.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. M. Bichler:
    "DFT study of the (012) surface of hematite";
    Talk: SFB Vicom Young-Researchers-Meeting 2016, Vienna; 09-22-2016 - 09-23-2016.

  18. 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.

  19. P. Blaha:
    "Calculations of NMR shifts in insulating and metallic solids";
    Keynote Lecture: ICAMM2016, Rennes, France (invited); 09-05-2016 - 09-07-2016.

  20. P. Blaha:
    "Theoretical Spectroscopy on Fullerenes";
    Talk: 11th International Symposium on Computational Challenges and Tools for Nanotubes (CCTN16), Vienna (invited); 08-13-2016.

  21. 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.

  22. M. Bichler:
    "DFT-study of the hematite (012) surface";
    Talk: Solids4Fun Summerschool 2016, Waidhofen an der Ybbs; 06-04-2016 - 06-08-2016.

  23. T. Ruh:
    "Optimizing the Performance of WIEN2k";
    Talk: Solids4Fun Summerschool 2016, Waidhofen an der Ybbs; 06-04-2016 - 06-08-2016.

  24. 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.

  25. 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.

  26. P. Blaha:
    "The magnetite (001) surface";
    Keynote Lecture: 28th Canadian Materials Science Conference, Hamilton, Canada (invited); 06-07-2016 - 06-10-2016.

  27. F. Tran:
    "Advanced DFT, Hybrid-DFT, LDA+U, GW";
    Talk: 23rd WIEN2k workshop, Hamilton, Canada; 06-01-2016 - 06-07-2016.

  28. P. Blaha:
    "An overview of the WIEN2k package for beginners";
    Keynote Lecture: 23rd WIEN2k workshop, Hamilton, Canada (invited); 06-01-2016 - 06-07-2016.

  29. K. Schwarz:
    "Magnetism";
    Talk: 23rd WIEN2k workshop, Hamilton, Canada; 06-01-2016 - 06-07-2016.

  30. 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.

  31. T. Ruh:
    "Evaluating the scaling behaviour of WIEN2k";
    Talk: AHPC16, Grundlsee; 02-22-2016 - 02-24-2016.

  32. 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.

  33. F. Tran:
    "Approximations to the exact exchange potential: semilocal vs. KLI";
    Talk: Vicom-workshop 2016-I, Stadtschlaining; 03-30-2016 - 03-31-2016.

  34. 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.

  35. 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.

  36. 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.

  37. 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.