SUNDAY |
2:00 pm - 6:00 pm | Arrival and Check-in |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | Thermoelectrics |
7:30 pm - 7:40 pm | Welcome (John Spence) |
7:40 pm - 8:30 pm | Bo Iversen (Århus, Denmark)
"Structure based development of new thermoelectric materials" |
8:30 pm - 9:20 pm | G. Madsen (Århus, Denmark)
"Band transport and thermoelectrics" |
9:20 pm - 9:30 pm | Discussion Leader: David Singh (Naval Research Laboratory, USA) |
MONDAY |
7:30 am - 8:30 am | Breakfast |
8:45 am | Photo |
9:00 am - 12:30 pm | Electron Diffraction |
| Discussion Leader: Jian Min Zuo (UIUC, USA) |
9:00 am - 9:50 am | Yi Mei Zhu (BNL, USA) |
9:50 am - 10:40 am | Kenji Tsuda (Tohoku, Japan) |
10:40 am - 11:10 am | Coffee Break |
11:10 am - 12:00 pm | Bin Jiang (ASU, USA) |
12:00 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 I (Chairman: C. Gatti) |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | High Pressure / Fullerenes |
| Discussion Leader: Robert Stewart (Carnegie Mellon & Copenhagen, USA &
Denmark) |
7:30 pm - 8:20 pm | Eiji Nishibori (Nagoya, Japan) |
8:20 pm - 9:15 pm | Business Meeting Group (Spence and Gatti) |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Theory: Large Systems |
| Discussion Leader: Karlheinz Schwarz (T.U. Wien, Austria) |
9:00 am - 9:50 am | Xavier Assfeld (Nancy, France)
"Developments of combined quantum mechanics molecular mechanics
methods: Applications to macromolecular structures, zeolite acidity, and chemical
reactivity" |
9:50 am - 10:40 am | Peter Blaha (Tu Vienna, Austria) |
10:40 am - 11:10 am | Coffee Break |
11:10 am - 12:00 pm | Johannes Kaestner (Clausthal U., Germany)
"Unraveling biological nitrogen fixation: Insights from first-principles
calculations" |
12:00 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 I (Chairman: C. Gatti) |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | Physical Props / Topology |
| Discussion Leader: Richard Bader (McMaster U., Canada) |
7:30 pm - 8:20 pm | Angel Martin Pendas (Oviedo, Spain) |
8:20 pm - 9:10 pm | Miroslav Kohout (MPI for Chemische Physik fester
Stoffe, Germany) |
9:10 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Progress in Refinement |
| Discussion Leader: Hans-Beat Buergi (Bern, Switzerland) |
9:00 am - 9:50 am | Jean-Michel Gillet (Ecole Centrale Paris, France) |
9:50 am - 10:40 am | Tibor Koritsanszky (MTSU, USA) |
10:40 am - 11:10 am | Coffee Break |
11:10 am - 12:00 pm | Anatoliy Volkov (Buffalo, USA)
"Electrostatic properties of molecules built from the theoretical
pseudoatom databank" |
12:00 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 II (Chairman: C. Gatti) |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | Chemical Systems |
| Discussion Leader: Alan Pinkerton (Toledo, USA ) |
7:30 pm - 8:20 pm | Elizabeth Zhurova (Toledo, USA)
"Topological characteristics of the electron density and electronic energy
density: new insights into atomic interactions" |
8:20 pm - 9:10 pm | Piero Macchi (Milano, Italy)
"Useful variables and indicators in chemical bonding analysis" |
9:10 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Excited States |
| Discussion Leader: Philip Coppens (Buffalo, USA) |
9:00 am - 9:50 am | Simone Techert (MPI for Biophysical Chemistry,
Germany) |
9:50 am - 10:40 am | Sebastien Pillet (Nancy, France)
"Photo-crystallography: towards electron density distribution of excited states" |
10:40 am - 11:10 am | Coffee Break |
11:10 am - 12:00 pm | Jim Cao (FSU, USA)
"Probing of ultrafast structural dynamics with
time-resolved electron diffraction" |
12:00 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 II (Chairman: C. Gatti) |
6:00 pm | Dinner |
7:30 pm - 9:30 pm | Surfaces & Many-Electron Effects |
7:30 pm - 8:20 pm | L.D. Marks (Northwestern, USA) |
8:20 pm - 8:30 pm | Discussion Leader: C. Lecomte (Nancy, France) |
8:30 pm - 9:20 pm | Claudia Dallera (Milano, Italy) |
9:20 pm - 9:30 pm | Discussion Leader: Mel Levy (N. Carolina A&T State, USA) |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Depart |