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 | SPECTROSCOPY OF COMPLEX SYSTEMS |
| Discussion Leader: Angel Rubio (U. of the Basque Country, Spain) |
7:40 pm - 8:20 pm | Nicola Marzari (MIT)
"Transition-metal complexes and evil tails of self-interaction" |
8:20 pm - 8:35 pm | Discussion |
8:35 pm - 9:15 pm | Stefano Baroni (SISSA, Trieste, Italy)
"Harnessing molecular excited states with Lanczos chains" |
9:15 pm - 9:30 pm | Discussion |
MONDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | NEW THEORETICAL DEVELOPMENTS |
| Discussion Leader: Neepa Maitra (Hunter College, New York) |
9:00 am - 9:40 am | Gustavo E. Scuseria (Rice University)
"Range-separated hybrid functionals including RPA correlation" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break / Group Photo |
10:30 am - 11:10 am | Martin Head-Gordon (University of California, Berkeley)
"Self-interaction free and long-range corrected methods for excited states" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | John Dobson (Griffith University, Australia)
"TDCDFT and the inhomogeneous Singwi-Tosi-Land-Sjolander formalism" |
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 | NEW APPROACHES TO SOLIDS |
| Discussion Leader: Stephan Kuemmel (Universität Bayreuth, Germany) |
7:30 pm - 8:10 pm | Georg Kresse (Univ. Wien, Austria)
"Beyond the local approximation: total energies from adiabatic coupling" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Claudia Ambrosch-Draxl (University of Leoben, Austria)
"Time-dependent density functional theory versus Bethe Salpeter equation: Excitation spectra calculated within an all-electron framework" |
9:10 pm - 9:30 pm | Discussion |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | ELECTRONIC TRANSPORT - I |
| Discussion Leader: Massimiliano di Ventra (University of California, San Diego) |
9:00 am - 9:40 am | Harold Baranger (Duke University)
"Conduction Through Nanoscale Interacting Systems: Opportunities for TDDFT" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:10 am | Kristian Thygessen (Technical University of Denmark)
"Incorporating exchange-correlation effects in quantum transport using many-body perturbation theory" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | Mark Ratner (Northwestern University)
"Molecular Junction Transport: Resonances, States and Behaviors" |
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 | ELECTRONIC TRANSPORT - II |
| Discussion Leader: Kieron Burke (UC Irvine) |
7:30 pm - 8:10 pm | Daniel Neuhauser (University of California, Los Angeles)
"Quantum Drude Friction for TDDFT" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Robert van Leeuwen (University of Jyväskylä, Finland)
"Many-body Green function theory and TDDFT for transient phenomena in quantum transport" |
9:10 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | PHOTOBIOCHEMISTRY |
| Discussion Leader: Filipp Furche (University of California, Irvine) |
9:00 am - 9:40 am | Paolo Carloni (SISSA, Italy)
"TDDFT studies on fluorescence probes used in biochemistry" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:10 am | Dage Sundholm (University of Helsinki, Finland)
"Ab Initio and TDDFT Studies of Excited States of Biochromophores" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | Daniele Varsano (INFM-S3, Italy)
"Optical absorption and circular dichroism of biomolecules in 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 |
7:30 pm - 9:30 pm | OPTIMAL CONTROL THEORY |
| Discussion Leader: Carsten Ullrich (University of Missouri) |
7:30 pm - 8:10 pm | Eberhard K.U. Gross (Freie Universität Berlin, Germany)
"TDDFT and optimal control theory: Scenes of a difficult marriage" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | Alberto Castro (Freie Universität Berlin, Germany)
"Quantum Optimal Control Theory with TDDFT" |
9:10 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | REAL-TIME DYNAMICS |
| Discussion Leader: Troy Van Voorhis (MIT) |
9:00 am - 9:40 am | André D. Bandrauk (Université de Sherbrooke, Canada)
"Imaging Molecular Orbitals from Ionization with Intense Laser Pulses - TDDFT Results" |
9:40 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:10 am | Todd Martinez (University of Illinois)
"Conical Intersections and TDDFT" |
11:10 am - 11:30 am | Discussion |
11:30 am - 12:10 pm | Xavier Andrade (University of the Basque Country, Spain)
"A time-dependent perspective to vibrational spectroscopy" |
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 | NUMERICAL DEVELOPMENTS |
| Discussion Leader: Stefano Baroni (SISSA, Italy) |
7:30 pm - 8:10 pm | Giulia Galli (University of California, Davis)
"Evaluation of dielectric matrices for excited state and correlation energy calculations" |
8:10 pm - 8:30 pm | Discussion |
8:30 pm - 9:10 pm | John Perdew (Tulane University, New Orleans)
"Toward self-interaction-free density functionals" |
9:10 pm - 9:30 pm | Discussion |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Depart |