SUNDAY |
2:00 pm - 9:00 pm | Arrival and Check-in (Office Closed 6:00 pm - 7:00 pm) |
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: Hardy Gross (Max Planck Institute of Microstructure Physics) |
7:40 pm - 8:20 pm | Neepa Maitra (Hunter College of New York) "Electron correlation via semiclassical dynamics: a possible solution to many challenges in TDDFT?" |
8:20 pm - 8:35 pm | Discussion |
8:35 pm - 9:15 pm | Carsten Ullrich (University of Missouri) "Watching excitons move: the time-dependent transition density matrix" |
9:15 pm - 9:30 pm | Discussion |
MONDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Electronic Excited States (TDDFT and Beyond) |
| Discussion Leader: Roi Baer (Hebrew University) |
9:00 am - 9:40 am | Andreas Köhn (Johannes Gutenberg-Universitaet (JGU) Mainz) "Second-order wave-function methods for excited states: Successes and problems" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:10 am | Katarzyna Pernal (Technical University of Lodz) "The prospects of curing deficiencies of TDDFT with density matrix functionals" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | Michael Rohlfing (Universitaet Osnabrück) "Many-body perturbation theory for large systems: An LDA+GdW approach" |
12:10 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 | Van der Waals Interactions |
| Discussion Leader: Neepa Maitra (Hunter College of New York) |
7:30 pm - 8:10 pm | Janos Angyan (Nancy University-CNRS) Dispersion energy from DFT: RPA-based approximations |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Erin Johnson (University of California, Merced) "Dispersion in DFT: comparison of approaches, pi-stacking, and changing chemical environments" |
9:10 pm - 9:30 pm | Discussion |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Solar Energy Conversion |
| Discussion Leader: Marc Casida (University Of Joseph Fournier UMR CNRS, Grenoble) |
9:00 am - 9:40 am | Sergei Tretiak (Los Alamos National Lab.) "Conjugated organics: pushing TDDFT limits and lessons learned" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:10 am | Art Nozik (National Renewable Energy Laboratory) "Multiple Exciton Generation in Semiconductor Quantum Dots and Novel Molecules: Applications to Third Generation Solar Photon Conversion" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | Greg Scholes (University of Toronto) "Quantum-coherent dynamics of electronic energy transfer in photosynthesis" |
12:10 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 | Real Time Dynamics |
| Discussion Leader: Leeor Kronik (Weizmann Insititute) |
7:30 pm - 8:10 pm | Stephan Kuemmel (Universitat Bayreuth) "Self interaction correction in real-space and real time: helpful or
hopeless?" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Oleg Prezhdo (Univeristy of Rochester) "Time-domain DFT for electron-phonon dynamics in nanoscale materials" |
9:10 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Functional Development |
| Discussion Leader: Stephan Kuemmel (Universitat Bayreuth) |
9:00 am - 9:40 am | Kieron Burke (University of California, Irvine) "Does TDDFT really apply to atoms, molecules, and solids? The significance
of cusps" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break / Group Photo |
10:30 am - 11:10 am | Adam Wasserman (Purdue) "Partition Density Functional Theory" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | David Tozer (Durham Univeristy) "Triplet states from TDDFT" |
12:10 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 |
7:00 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 | Short Talks |
| Discussion Leader: Troy Van Voorhis (Massachusetts Institute of Technology) |
7:30 pm - 7:55 pm | Short Talk 1: TBA |
7:55 pm - 8:10 pm | Discussion |
8:10 pm - 8:35 pm | Short Talk 2: TBA |
8:35 pm - 8:50 pm | Discussion |
8:50 pm - 9:15 pm | Short Talk 3: TBA |
9:15 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Optical Properties |
| Discussion Leader: Barry Dunietz (University of Michigan) |
9:00 am - 9:40 am | Jochen Autschbach (State University of New York, Buffalo) "TDDFT calculations of dynamic response and chiroptical properties of molecules" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:00 am | Lasse Jensen (Penn State) "Understanding Molecular Plasmonics using TDDFT" |
11:00 am - 11:20 am | Discussion |
11:20 am - 11:40 am | Vladimir Nazarov (Academia Sinica) "Optics of semiconductors from meta-GGA-based time-dependent density-functional theory" |
11:40 am - 12:00 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 | Photochemistry |
| Discussion Leader: Adam Wasserman (Purdue) |
7:30 pm - 8:10 pm | Christine Aikens (Kansas State) "Optical and photophysical properties of gold nanoparticles" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Angel Rubio (Universidad Del Pais Vasco, San Sebastian) "Light induced electron-hole photo-physical processes in nanostructures:
open questions for TDDFT" |
9:10 pm - 9:30 pm | Discussion |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Departure |