3rd Munich Workshop: Density Functional Theory and Beyond
Feb 10th 2012, Venue: HS 111, Theresienstr 41, 80333 Munich
10.02.2012 09:00 Uhr – 17:00 Uhr
Organizers:
Rossitza Pentcheva (LMU-Crystallography), Diemo Ködderitzsch and Jan Minar (LMU-Chemistry)
| Time | Speaker | Affiliation | Topic |
|---|---|---|---|
| 09:00 | Welcome address | ||
| 09:10 | Liviu Chioncel | Uni Augsburg | LDA+DMFT implementations for electronic correlations in solids |
| 09:30 | Marius Schulte | LMU Chemistry | Restricted open-shell Kohn-Sham theory within CPMD |
| 09:50 | Martin Offenberger | LMU Chemistry | Calculating positron lifetimes with the KKR method |
| 10:10 | Kristina Chadova | LMU Chemistry | Investigation of the extrinsic spin Hall effect in transition metal alloys |
| 10:30 | Coffee break | ||
| 10:50 | Jörg Meyer | TU München | Energy dissipation at surfaces |
| 11:10 | Harald Oberhofer | TU München | Calculating electron mobilities in organic solar cell components |
| 11:30 | Katrin Otte | LMU Crystallography | Parallel electron-hole bilayer from electronic reconstruction in SrTiO3/LaAlO3/SrTiO3(001) |
| 11:50 | Johannes Weber | LMU Chemistry | Investigation of defect structures in ZnO: Al nanoparticles by DFT calculations and NMR Experiments |
| 12:10 | Lunch | ||
| 12:50 | Coffee & Poster session | ||
| 13:30 | Joerg Kussmann | LMU Chemistry | Properties of Large Molecular Systems by Density-Matrix Methods |
| 14:00 | Ivan Leonov | Uni Augsburg | Temperature evolution of phonon spectra of elemental iron near the α - γ phase transition |
| 14:20 | Carmen Quiroga | LMU Crystallography | Pressure-induced phase transitions in MnTiO3: Insights from DFT calculations |
| 14:40 | Sebastian Wimmer | LMU Chemistry | Electronic structure, transport and spectroscopic properties of Sn1-xSbxO2 alloys |
| 15:00 | Coffee | ||
| 15:30 | Kulpreet Virdi | LMU Chemistry | Electronic structure of two-dimensional oxide nanostructures from an experimentalist's perspective |
| 15:50 | Ariadna Blanca- Romero | LMU Crystallography | Confinement induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices |
| 16:10 | Gerhard Kuhn | LMU Chemistry | Magnetic properties of CrxSby compounds: bulk and ultrathin films - an ab initio study |
| 16:30 | Rossitza Pentcheva | LMU Crystallography | Closing Remarks |
List of Posters:
- Denis Flaig (LMU-Chem): Nuclei-Selected NMR Shieldings within Linear- and Sublinear-Scaling QM and QM/MM Approaches
- Ariadna Blanca-Romero (LMU-Cryst): Confinement induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices
- Rémi Arras, David Dönnig (LMU-Cryst): Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contacts
- Iryna Kurylyshyn (TUM-LS Fässler): Electron Density Determination in Ca-Si System
- Kristina Chadova: Investigation of the extrinsic and intrinsic contributions to the anomalous Hall effect using the SPR-KKR method
- Gerhard Kuhn: Magnetic properties of CrxSby compounds: bulk and ultrathin films - an ab initio study
- Sebastian Wimmer: Anisotropy of the Seebeck effect and anomalous Nernst effect from Kubo linear response formalism
- Martin Offenberger: Calculating positron lifetimes with the KKR method