SUNDAY |
2:00 pm - 11:00 pm | Arrival and Check-in |
6:00 pm | Dinner |
7:30 pm - 7:40 pm | Welcome / Introductory Comments by GRC Site Staff |
7:40 pm - 9:30 pm | FUNDAMENTALS OF TDDFT |
| Discussion Leader: E.K.U. Gross (Freie Universität Berlin) |
7:40 pm - 8:25 pm | Andreas Goerling (Universität Erlangen)
"Orbital-dependent functionals in TDDFT" |
8:25 pm - 8:35 pm | Discussion |
8:35 pm - 9:20 pm | Meta van Faassen (Rutgers University)
"Low-energy electron scattering with TDDFT" |
9:20 pm - 9:30 pm | Discussion |
MONDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | PHOTOCHEMISTRY AND EXCITED-STATE DYNAMICS |
| Discussion Leader: Filipp Furche (Universität Karlsruhe) |
9:00 am - 9:50 am | Mark Casida (University of Grenoble)
"Troubleshooting TDDFT for photochemical dynamics: oxirane" |
9:50 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:20 am | Annabella Selloni (Princeton University)
"Dye sensitized solar cells: modeling and insights from TDDFT calculations" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:20 pm | Sergej Tretiak (Los Alamos National Laboratory)
"Photoinduced dynamics in organic nano-materials and multiscale modeling of optical spectra using TDDFT" |
12:20 pm - 12:30 pm | Discussion |
12:30 pm | Group Photo / Lunch |
1:30 pm - 4:00 pm | Free Time |
4:00 pm - 6:00 pm | Poster Session |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | OPTICAL SPECTRA OF MATERIALS: FROM NANOCRYSTALS TO SOLIDS |
| Discussion Leader: Andreas Goerling (Universität Erlangen) |
7:30 pm - 8:20 pm | James Chelikowsky (University of Texas-Austin)
"TDLDA for clusters, molecules, and nanocrystals using real space-frequency domain methods" |
8:20 pm - 8:30 pm | Discussion |
8:30 pm - 9:20 pm | Lucia Reining (Ecole Polytechnique)
"How to get just the information you want - from many-body perturbation theory to TDDFT, and other shortcuts" |
9:20 pm - 9:30 pm | Discussion |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | NONADIABATIC ELECTRON-ION DYNAMICS |
| Discussion Leader: Evert Jan Baerends (Vrije Universiteit Amsterdam) |
9:00 am - 9:50 am | Tamar Seideman (Northwestern University)
"New Opportunities for TDDFT" |
9:50 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:20 am | Oleg Prezhdo (University of Washington)
"Dynamics on the nanoscale: Time-domain ab initio studies of carbon nanotubes, quantum dots, and molecule-semiconductor interfaces" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:20 pm | Roi Baer (Hebrew University of Jerusalem)
"A search for improved TDDFT functionals" |
12:20 pm - 12:30 pm | Discussion |
12:30 pm | Lunch |
1:30 pm - 4:00 pm | Free Time |
4:00 pm - 6:00 pm | Poster Session |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | STRONG-FIELD PHENOMENA IN ATOMS AND MOLECULES |
| Discussion Leader: Carsten Ullrich (University of Missouri) |
7:30 pm - 8:20 pm | André Bandrauk (University of Sherbrooke)
"Molecules in intense laser fields - from femto to attosecond dynamics" |
8:20 pm - 8:30 pm | Discussion |
8:30 pm - 9:20 pm | Manfred Lein (Universität Kassel)
"Electron-electron and electron-nuclear correlation in laser-matter interactions" |
9:20 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | NANOSCALE TRANSPORT |
| Discussion Leader: Harold Baranger (Duke University) |
9:00 am - 9:50 am | Roberto Car (Princeton University) |
9:50 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:20 am | Stefan Kurth (Freie Universität Berlin)
"Time-dependent phenomena and interactions in transport using TDDFT" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:20 pm | Tchavdar Todorov (Queen's University Belfast)
"Dynamical simulation of inelastic conduction in nanoscale wires" |
12:20 pm - 12:30 pm | Discussion |
12:30 pm | Lunch |
1:30 pm - 6:00 pm | Free Time |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | NEW FUNCTIONALS AND FRONTIERS |
| Discussion Leader: Kieron Burke (University of California-Irvine) |
7:30 pm - 8:20 pm | David Langreth (Rutgers University)
"Van der Waals interactions in density functional theory" |
8:20 pm - 8:30 pm | Discussion |
8:30 pm - 9:20 pm | Giovanni Vignale (University of Missouri)
"The stress tensor in TDDFT" |
9:20 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | CHARGE TRANSFER IN BIOMOLECULES |
| Discussion Leader: Nicola Marzari (MIT) |
9:00 am - 9:50 am | Fillipp Furche (Universität Karlsruhe)
"Challenges in biomolecular applications of TDDFT" |
9:50 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:20 am | Troy Van Voorhis (MIT)
"Constrained DFT and charge transfer: Excited states from a ground-state theory" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:20 pm | Neepa Maitra (Hunter College, CUNY)
"Acrobatics of the exchange-correlation kernel: long-range charge transfer, polarizabilities of long chain molecules, and phase-space DFT" |
12:20 pm - 12:30 pm | Discussion |
12:30 pm | Lunch |
1:30 pm - 6:00 pm | Free Time |
6:00 pm | Dinner |
7:00 pm - 7:30 pm | Business Meeting |
| (Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair) |
7:30 pm - 9:30 pm | NEW COMPUTATIONAL DEVELOPMENTS |
| Discussion Leader: Angel Rubio (Universidad del Pais Vasco) |
7:30 pm - 8:20 pm | Stefano Baroni (SISSA, Trieste)
"Turbocharging TDDFT with Lanczos chains" |
8:20 pm - 8:30 pm | Discussion |
8:30 pm - 9:20 pm | Miguel Marques (Universidade de Coimbra)
"The frequency-dependent Sternheimer equation in TDDFT" |
9:20 pm - 9:30 pm | Discussion |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Depart |