Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2009 - 2009
25 records
Talks and Poster Presentations (with Proceedings-Entry)
-
K. Schwarz:
"How mathematics can speed up quantum mechanical calculations of solids";
Talk: 6th Vienna Conference on Mathematical Modelling MATHMOD 2009,
Vienna (invited);
02-11-2009
- 02-13-2009; in: "Mathmod Vienna09",
ARGESIM Reports,
34
(2009),
ISBN: 978-3-901608-34-6;
386.
Talks and Poster Presentations (without Proceedings-Entry)
-
K. Schwarz:
"Electronic structure of solids and surfaces: WIEN2k";
Keynote Lecture: DFT meets Solid State Chemistry & 8th Tutorial Hands-on-FPLO,
Dresden, Germany (invited);
10-25-2009
- 10-29-2009.
-
R. Laskowski:
"Calculating binding energies of excitons within DFT-BSE formalism in wurzite semiconductors";
Keynote Lecture: 3rd Workshop on Novel Methods for Electronic Structure Calculations,
La Plata, Argentina (invited);
10-14-2009
- 10-16-2009.
-
P. Blaha:
"Materials Science with WIEN2k: accuracy, efficiency and new features";
Keynote Lecture: 3rd Workshop on Novel Methods for Electronic Structure Calculations,
La Plata, Argentina (invited);
10-14-2009
- 10-16-2009.
-
E. Kabliman:
"Ab initio study of the (PbS)1.13TaS2 misfit layer compound";
Talk: Dep.Physics, South Urals State University,
Chelyabinsk, Russia;
09-18-2009.
-
E. Kabliman:
"Structural and magnetic properties of the Fe-C σ-phase";
Talk: Dep.Physics, South Urals State University,
Chelyabinsk, Russia;
09-25-2009.
-
E. Kabliman:
"Structural and magnetic properties of the Fe-C σ-phase";
Talk: Modern computational approaches in iron based alloys,
Ekaterinenburg, Russia;
10-01-2009
- 10-03-2009.
-
R. Laskowski:
"Electron-hole correlations in solids";
Talk: Workshop CompMat'09,
Stadtschlaining;
10-05-2009.
-
F. Tran, P. Blaha, K. Schwarz:
"Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential";
Poster: DFT09,
Lyon, France;
08-31-2009
- 09-04-2009.
-
P. Haas, F. Tran, P. Blaha, K. Schwarz:
"Insight into the performance of (recently proposed) GGA functionals";
Poster: DFT09,
Lyon, France;
08-31-2009
- 09-04-2009.
-
P. Blaha:
"Verwey Transition and Mössbauer Parameters in YBaFe2O5";
Keynote Lecture: ICAME 2009, International Conference on the Application of the Mössbauer Effect,
Vienna (invited);
07-19-2009
- 07-24-2009.
-
F. Tran:
"Advanced GGAs";
Talk: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
K. Schwarz:
"Large scale applications with WIEN2k";
Talk: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
F. Tran:
"LDA+U, Hybrid-DFT";
Talk: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
K. Schwarz:
"Magnetism (FM, FSM, AFM).";
Talk: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
P. Blaha:
"An overview of the new WIEN2k package";
Keynote Lecture: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
K. Schwarz:
"Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method";
Keynote Lecture: 16th WIEN2k workshop: WIEN2009@PennState,
PennState University, State College, PA, USA (invited);
06-23-2009
- 06-26-2009.
-
E. Kabliman:
"FeCr sigma phase";
Talk: Applied Materials Physics, Royal Institute of Technology,
Stockholm;
04-29-2009.
-
K. Schwarz, P. Blaha, R. Laskowski:
"A new iterative diagonalization for WIEN2k";
Talk: Projektkoordinierungstreffen AGRID-2,
Linz;
04-28-2009.
-
P. Blaha:
"Magnetic and charge order phase transition in YBaFe2O5";
Talk: Psi-k meeting: "Magnetism in complex systems",
Wien (invited);
04-16-2009
- 04-18-2009.
-
P. Blaha:
"EFG calculations using WIEN2k";
Talk: Workshop: "Understanding inorganic materials with the help of NMR spectroscopy and electronic structure calculations",
Dresden (invited);
03-24-2009
- 03-25-2009.
-
P. Blaha:
"The structure of the h-BN/Rh(111) nanomesh";
Talk: Mini Symposium on Materials Theory,
Uppsala University, Sweden (invited);
03-05-2009.
-
E. Kabliman, A. Mirzoev, A. Udovsky:
"Fe-Cr σ phase";
Poster: 24. Workshop "Novel Materials and superconductors,
Planneralm;
02-21-2009
- 02-28-2009.
-
P. Blaha:
"Charge order and valence mixed YBaFe2O5 (Verwey transition)";
Keynote Lecture: 24. Workshop "Novel Materials and superconductors,
Planneralm (invited);
02-21-2009
- 02-28-2009.
-
P. Blaha:
"Computational Materials Science with the WIEN2k code";
Talk: Computational Science and Engineering Workshop CSE2009,
Rust;
01-08-2009
- 01-09-2009.