| Speaker | | Topic/Abstract | PDF |
|---|
| July 23, Mon. | Giulia Galli |
11:00-12:00 | First principle simulations of water in confined and compressed states |  |
| Francois Gygi |
14:00-15:00 | Implementation of First-Principles Molecular Dynamics on Large-Scale Computers |  |
| July 24, Tue. | Giulia Galli |
11:00-12:00 | Quantum simulations of the structure and electronic peoperties of water | |
| Tadashi Ogitsu |
14:00-15:00 | First-principles studies of materials under extreme conditions | |
| July 25, Wed. | Ferdi Aryasetiawan |
11:00-12:00 | Merging first-principles and model approaches | |
| Hisazumi Akai |
14:00-15:00 | Green's function method and its application to first-principles calculation of electric transport phenomena | |
| July 26, Thu. | Osamu Sugino |
11:00-12:00 | Chemical reactions: on the Born-Oppenheimer surface and beyond | |
| Takeo Fujiwara |
14:00-15:00 | Large-scale electronic structure calculation theory and its application | |
| July 27, Fri. | Igor Solovyev |
11:00-12:00 | LDA+U: fundamentals, open questions, and recent developments |
|
| Sergey Savrasov |
14:00-15:00 | From LDA+U to LDA+DMFT | |
| Speaker | | Topic/Abstract | PDF |
|---|
| August 6, Mon. | Shinji Tsuneyuki |
11:00-12:00 | Transcorrelated method: another possible way towards electronic structure calculation of solids | |
| Roberto Car |
14:00-15:00 | Theory and simulation of transport at the nanoscale | N/A |
| August 7, Tue. | Eberhard K.U. Gross |
11:00-12:00 | Time-dependence in quantum transport through nanostructures | |
| Yasutami Takada |
14:00-15:00 | The electron self-energy in the Green's-function approach: Beyond the GW approximation | |
| August 8, Wed. | Andreas Savin |
11:00-12:00 | Using wave functions and DFT | |
| Kimihiko Hirao |
14:00-15:00 | Molecular Theory for Large Systems | |
| August 9, Thr. | Kieron Burke |
11:00-12:00 | Applications of TDDFT | N/A |
| Eberhard K.U. Gross |
14:00-15:00 | TDDFT beyond the linear regime: Analysis and optimal control of electron dynamics | |
| August 10, Fri. | Eberhard K.U. Gross |
11:00-12:00 | Degeneracies, orbital currents and non-collinear magnetism: How far can we get with current-density functional theory and orbital functionals | |
| August 1 (Wed.) | August 2 (Thr.) | August 3 (Fri.) |
|---|
| 9:10 |
Opening |
|
| 9:30 |
Eberhard K.U. Gross: How to predict the critical temperature of superconductors: A density functional perspective |
John Dobson: Unusual Aspects of Dispersion Forces in Nanostructures |
Igor Solovyev: Combining DFT and many-body methods to understand correlated materials |
| 10:00 |
Kazuhiro Yabana: Simulation for electron dynamics in solid under intense laser pulse |
Kieron Burke: PBEsol, a generalized gradient approximation for solids and their surfaces |
Takashi Miyake: Wannier function approach to electronic excitation spectra |
| 10:30 |
Arkady Krasheninnikov: Simulations of irradiation-induced effects in carbon nanostructures |
Kouichi Kusakabe: Multi-reference density functional theory for Mott's insulators and
electron-electron interaction mediated superconductivity |
Shinji Tsuneyuki: A wave-function approach to solids |
| 11:00 |
Coffee break |
Coffee break |
Coffee break |
| 11:30 |
Hisazumi Akai: Exact Exchange Method Applied to Diluted Magnetic Semiconductors |
Masahiko Higuchi: Extended constrained-search theory and its applications |
Ryotaro Arita: First-principles scheme for strongly correlated electron systems with maximally localized Wannier functions: Application to black sodalite |
| 12:00 |
Takeo Fujiwara: First Principles Electronic Structure Calculations for Strongly Correlated Systems |
Vladimir Nazarov: Nonlocal exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of an electron liquid |
Hideaki Maebashi: Pseudo-quantum criticality in electron liquids exhibited in expanded alkali metals |
| 12:30 |
Sergey Savrasov: Predictive Capabilities for Strongly Correlated Systems: Spectral Density Functional Theory and its Applications |
Lunch |
Lunch |
| 13:00 |
Lunch |
| 14:00 |
Roberto Car: The hydrophobic effect in water: suprises from ab-initio MD |
Shigenori Tanaka: Biomolecular calculations based on electron-correlated fragment molecular orbital methods |
| 14:30 |
Giulia Galli: Recent progress in the description of excited state properties of liquids and nanostructures |
Kenji Hirose: Quantum Transport Calculations through Molecules and Carbon Nanotubes |
Yutaka Imamura: Time-dependent density functional theory for core excited states |
| 15:00 |
Minoru Otani: First principles description of electrochemical reactions at water/Pt(111) interface |
Angelica Zacarias: Density Matrix Functional Theory for Molecules and Solids |
Closing (-15:10) |
| 15:30 |
Yoshitaka Tateyama: Density-functional constrained molecular dynamics energy gap (DF-CMD-EG) method for free energy calculation of chemical reaction coupled to electron transfer |
Annabella Selloni: Surface defects and doping in TiO2 |
|
| 16:00 |
Coffee break |
Coffee break |
| 16:30 |
Tsuyoshi Miyazaki: Developments and applications of a linear-scaling DFT code CONQUEST |
Takao Tsuneda: Long-range corrected TDDFT and its applications |
| 17:00 |
Tadashi Ogitsu: Ab-initio study of the ground state structure of elemental boron |
Chunping Hu: Formal derivation of nonadiabatic couplings from time-dependent density functional theory and the extension within modified linear response |
| 17:15 |
Kenji Shiraishi: How can first principles calculations give large contributions to industries? |
| 17:30 |
Francois Gygi: Computation of Maximally Localized Wannier Functions and Compact Representations of Kohn-Sham Invariant Subspaces |
| 17:45 |
Shigeo Maruyama: Exciton transition energy in photoluminescence of single-walled carbon nanotubes |
| 18:00 |
Yoshihide Yoshimoto: Extended multicanonical method combined with thermodynamically optimized potential |
| 18:15 |
Poster |
Banquet |