Program
(as compiled on June 28, 2000)
Wednesday afternoon
| 14:00 |
Registration
(please see Karsten Reuter) |
Wednesday afternoon
chairpersons: Matthias Scheffler & Michael Payne
| 15:00 |
Welcome and
more Michel Mareschal (director of CECAM) and Matthias Scheffler |
| 15:10 (35+) |
Schlögl,
Robert |
On the origin
of the gaps between fundamental and applied heterogeneous catalysis |
| 15:55 (18+) |
Chaka, Anne |
Metal oxides
in contact with a realistic atmosphere containing oxygen and water |
| 16:40 (18+) |
Reuter, Karsten |
Destabilization of the Ru(0001) surface upon oxygen adsorption
|
| 17:05 (35+) |
Goodman, Wayne |
Metal Clusters On Planar Oxide Supports |
| 18:30 |
poster session
and light dinner (organized by Sönke Lorenz et al.) |
Thursday morning
chairpersons: Veronica Ganduglia-Pirovano & Malgorzata Witko
| 9:00 (35+) |
Clausen, Bjerne |
Catalysis on
nano-particles. Characterization and influence of structural properties. |
| 9:45 (35+) |
Landmann, Uzi |
Reactivity
of nano-particles |
| 10:50 (18+) |
Mavrikakis,
Manos |
Reactivity
of small molecules on transition metal surfaces |
| 11:15 (35+) |
Hammer, Bjørk |
Structure sensitivity
of chemical reactions at metal surfaces |
| 12:00 (35+) |
Schüth, Ferdi |
High throughput
approaches in catalysis research |
Thursday afternoon
chairpersons: Robert Schlögl & Wayne Goodman
| 14:05 (18+) |
Morikawa, Yoshitada |
Ab initio study
of methanol synthesis on Cu surfaces |
| 14:30 (35+) |
Payne, Mike |
The reaction
of methanol in zeolite acid catalysts |
| 15:15 (35+) |
Hafner, Jürgen |
Ab initio simulations
of molecular reactions in zeolites |
| 16:20 (35+) |
Toulhoat, Herve |
Evaluation
of solid/water interfacial energies from first principles molecular dynamics
simulations: application to the prediction of precipitated pseudo-boehmite
morphologiesitle |
| 17:05 (18+) |
Bengaard, Hanne |
Steam reforming
catalysis: the role of promoters and poisons |
| 17:30 (18+) |
Evans, Jim |
Ordering, Percolation,
and Diffusion in Atomistic Models for Surface Reactions |
| 18:30 |
poster session
and light dinner (organized by Sönke Lorenz et al.) |
Friday morning
chairpersons: Jürgen Hafner & Klaus-Peter Bohnen
| 9:00 (35+) |
Sautet, Philippe |
Breaking NO
on a transition metal surface : a DFT comparison of Rh, Pd and Pd-Mn alloy |
| 9:45 (35+) |
Wolf, Martin |
Femto-second
chemistry of surface reactions |
| 10:50 (35+) |
Neurock, Matthew |
From First-Principles
to Catalytic Turnovers. |
| 11:35 (18+) |
Eichler, Andreas |
The CO+NO redox
reaction on Pt(100) |
| 12:00 (35+) |
Ramprasad,
Ramamurthy |
First principles
study of the interplay between surface chemistry and field emission from
metal surfaces |
Friday afternoon
chairpersons: Jens Nørskov & Ferdi Schüth
| 14:00 (35+) |
Bogicevic,
Alexander |
Understanding
and tailoring metal-oxide interfaces from first principles |
| 14:45 (18+) |
Pacchioni,
Gianfranco |
Role of surface
defects in the catalytic activation of Pd atoms and clusters on MgO |
| 15:10 (18+) |
Kresse, Georg |
First-principles
calculations for VxOy grown on Pd(111) |
| 15:35 (18+) |
Hermann, Klaus |
Structure and
Reactivity of Oxygen Vacancies at Vanadium Pentoxide Surfaces: ab initio
DFT cluster studies |
| 16:20 (35+) |
Sauer, Joachim |
QM-Pot and
plane wave studies on the reactivity of solid acid catalysts |
| 17:05 (35+) |
Besenbacher,
Flemming |
STM studies
on metal surfaces relevant for model catalysts |
| 19:00 |
conference
dinner at ????? |
Saturday morning
chairperson: Flemming Besenbacher
| 9:00 (18+) |
Groß,
Axel |
New insights
into the molecular adsorption mechanism by ab initio based tight-binding
molecular dynamics simulations |
| 9:25 (35+) |
Röthlisberger,
Ursula |
First-Principles
Design of biocatalysts |
| 10:10 (35+) |
Nørskov,
Jens |
Biocatalysis |
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Last modified: Fri Aug 4 12:57:41 METDST 2000
