Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Talks and Poster Presentations
2004 - 2004
25 records
Talks and Poster Presentations (without Proceedings-Entry)
-
B. Olejnik:
"Nonlinear optics with Wien2k";
Talk: TMR-workshop on FLAPW development,
Jülich, D (invited);
12-10-2004
- 12-11-2004.
-
P. Blaha:
"Phonons and Phasetransitions";
Talk: TMR-workshop on FLAPW development,
Jülich, D (invited);
12-10-2004
- 12-11-2004.
-
P. Blaha:
"Electronic structure, atomic forces and structural relaxations by WIEN2k";
Talk: Workshop on ab initio phonon calculations,
Cracow, Pl (invited);
12-02-2004
- 12-04-2004.
-
P. Blaha:
"Planning of the new Aurora-cluster";
Poster: 10th Aurora plenary meeting,
Pöllauberg, Stmk;
11-26-2004
- 11-28-2004.
-
J. Schweifer:
"Working with W2grid";
Talk: 10th Aurora plenary meeting,
Pöllauberg, Stmk;
11-26-2004
- 11-28-2004.
-
K. Schwarz:
"An LDA+U study of magnetic and orbital ordering in BaCoO3";
Talk: 2nd Int.Workshop: Ordering Phenomena in Transition Metal Oxides,
Wildbad Kreuth, Germany (invited);
09-26-2004
- 09-29-2004.
-
C. Först, C. Ashman, K. Schwarz, P. Blöchl:
"The SrTiO3/Si Interface: Insights from Ab-Initio Simulations";
Talk: CECAM workshop: Atomic processes at semiconductor-oxide interfaces in microelectronic devices,
Lyon, France (invited);
09-13-2004
- 09-15-2004.
-
M. Iglesias, A. M. Rodriguez, P. Blaha, D. Baldomir, M. Pereiro, J. Botana, J. Arias, K. Schwarz:
"Ab initio electronic structure of rare earth orthoferrites";
Poster: JEMS'04 (Joint European Magnetism Symposium),
Dresden, Germany;
09-05-2004
- 09-10-2004.
-
V. Pardo, P. Blaha, M. Iglesias, D. Baldomir, K. Schwarz, M. Pereiro, J. Botana, J. Arias:
"Ab initio study of magnetic and orbital ordering in BaCoO3";
Talk: JEMS'04 (Joint European Magnetism Symposium),
Dresden, Germany;
09-05-2004
- 09-10-2004.
-
V.N. Strocov, R. Claessen, P. Blaha:
"Photoemission final states in Bi2212: Diffraction effects in the shadow Fermi surface";
Poster: 16th Int. Vacuum Congress,
Venice, Italy;
06-28-2004
- 07-02-2004.
-
B. Olejnik:
"Non-linear Optics and Second Harmonics generation";
Talk: Wien2k workshop: WIEN2004,
PennState University, State College, USA (invited);
07-12-2004
- 07-15-2004.
-
P. Blaha:
"An overview of WIEN2k";
Talk: Wien2k workshop: WIEN2004,
PennState University, State College, USA (invited);
07-12-2004
- 07-15-2004.
-
K. Schwarz:
"DFT and the APW+lo method";
Talk: Wien2k workshop: WIEN2004,
PennState University, State Collage, USA (invited);
07-12-2004
- 07-15-2004.
-
P. Blaha:
"Unxepected structure and chemical bonding in Pyrochlore Y2Nb2O7";
Talk: GRC Conference: Electron Distribution and Chemical Bonding,
Mount Holyoke College, MA, USA (invited);
07-04-2004
- 07-09-2004.
-
P. Blaha:
"WIEN2k and the APW+lo method";
Talk: International School on Synchrotron Radiation 2004,
Beijing, China (invited);
06-21-2004
- 06-26-2004.
-
K. Schwarz, C. Först:
"Material for future transistors, Strontiumtitanate on Silicon";
Talk: 9th AURORA Plenary Meeting,
Strobl/Wolfgangsee (invited);
06-04-2004
- 06-06-2004.
-
J. Schweifer:
"Functionaity of W2grid";
Talk: 9th AURORA Plenary Meeting,
Strobl/Wolfgangsee (invited);
06-04-2004
- 06-06-2004.
-
K. Schwarz:
"Dichtefunktionaltheorie für moderne Materialien";
Talk: GDCh-Kolloquium Hannover,
Universität Hannover (invited);
05-27-2004.
-
C. Först:
"Ab-initio Simulation des Wachstums von high-k Oxiden auf Silizium: Die SrTiO3/Si Grenzflche";
Talk: Graduiertenkolleg TU Darmstadr,
Darmstadt, Deutschland (invited);
05-07-2004.
-
K. Schwarz:
"Elektronische Struktur und Eigenschaften von Festkörpern";
Talk: Augsburger Physikalisches Kolloquium,
Augsburg, Deutschland (invited);
04-26-2004.
-
J. Schweifer, K. Schwarz, P. Blaha:
"W2Grid, a grid computing infrastructure for WIEN2k";
Poster: 19. Workshop on Novel Materials and Superconductivity,
Planneralm;
02-22-2004
- 02-28-2004.
-
V. Pardo, P. Blaha, K. Schwarz, M. Iglesias, D. Baldomir, J. Arias:
"Magnetic structure and orbital ordering in BaCoO3 using WIEN2k";
Poster: 19. Workshop on Novel Materials and Superconductivity,
Planneralm;
02-22-2004
- 02-28-2004.
-
C. Först:
"Materials for future transistors: The interface netween silicon and strontium titanate";
Talk: 19. Workshop on Novel Materials and Superconductivity,
Planneralm, Austria (invited);
02-22-2004
- 02-28-2004.
-
K. Schwarz:
"Fundamentals of DFT and the Program WIEN2k";
Talk: Computational Crystallography Workshop 2004,
Aachen (invited);
02-08-2004
- 02-10-2004.
-
C. Först:
"Simulation des Kristallwachstums von SrTiO3 auf Si";
Talk: Seminarreihe Institut für Materialchemie,
Wien (invited);
01-14-2004.