Preliminary program:

Wednesday, 10.09.
Noon - 16:30 Arrival, registration 
Session:  (Nano)catalysis and chemical kinetics (Chair: Ronald Imbihl, University of Hannover, D)
16:30 - 16:45 Opening remarks 
16:45 - 17:30 Jens Nørskov (CAMP, DK) "Universality in heterogeneous catalysis"
17:30 - 18:00 Per Stoltze (Aarlborg University, DK) "Microkinetic modelling of methanol oxidation over silver"
19:30 - 20:15 Uzi Landman (Georgia Tech University, USA) "Nanocatalysis: principles and guidelines for atomic-scale controlled catalytic activity"
20:15 - 21:00 Sokrates Pantelides (Vanderbilt University, USA) "Nanocatalysis - the good, the bad and the treacherous"


Thursday, 11.09.
Session:  From statics to dynamics (Chair: Notker Rösch, TU München, D)
9:00 - 9:45 Axel Gross (TU München, D) "Ab initio molecular dynamics: interpolation-based schemes vs. the direct method"
9:45 - 10:15 Geert-Jan Kroes (University of Leiden, NL) "Quantum dynamics of H2 dissociation on metal surfaces: success stories and problems"
Coffee break
10:45 - 11:15 Alessandro de Vita (University of Trieste, I) "..."
11:15 - 12:00 Bengt Lundqvist (Chalmers University, S) "Questions and problems in the study of molecular dissociation over metal surfaces in the catalytic context"
Session:  Tackling long time scales I: (accelerated) dynamics and rare events (Chair: Francesco Montalenti, University of Milan, I)
13:30 - 14:15 Art Voter (Los Alamos, USA) "Accelerated molecular dynamics methods"
14:15 - 15:00 Hannes Jónsson (University of Washington, USA) "Multiple time scale simulations of solids"
15:00 - 15:30 Peter Bolhuis (University of Amsterdam, NL) "The pros and cons of transition path sampling"
Coffee break
Session:  Tackling long time scales II: (kinetic) Monte-Carlo simulations (Chair: Karsten Reuter, Fritz-Haber-Institut Berlin, D)
16:00 - 16:45 Kristen Fichthorn (Penn State University, USA) "Kinetic Monte-Carlo simulations and applications"
16:45 - 17:15 Peter Kratzer (Fritz-Haber-Institut Berlin, D) "Kinetic Monte Carlo simulations of epitaxial growth based on first-principles calculations"
17:15 - 18:00 Matthew Neurock (University of Virginia, USA) "..."
18:00 - 18:30 Berend Smit (University of Amsterdam, NL) "Understanding shape selectivity in microporous materials"
Dinner "Bayrisches Buffet"
20:30 - ... Poster Session


Friday, 12.09.
Session:  Tackling large systems I: model potentials (Chair: Stefan Müller, University of Erlangen, D)
9:30 - 10:15 David Pettifor (University of Oxford, GB) "Bond-order potentials for catalysis"
Coffee break
10:45 - 11:30 Mike Baskes (Los Alamos, USA) "Embedded Atom Method potentials for catalysis"
11:30 - 12:00 Gert Jan Kramer (TU Eindhoven, NL) "Subtleties of CO on the Pt(100) surface, or how far can we take MEAM potentials?"
Session:  Tackling large systems II: embedding (Chair: Matthias Scheffler, Fritz-Haber-Institut Berlin, D)
13:00 - 13:30 Marcus Elstner (Dt. Krebsforschungszentrum, D) "QM/MM simulations of biological molecules: approaching large systems and long time scales"
13:30 - 14:00 Thorsten Klüner (Fritz-Haber-Institut Berlin, D) "Predictions of electronic excited states of adsorbates on metal surfaces from a first-principles embedding approach"
14:00 - 14:45 Jerry Whitten (North-Carolina State University, USA) "Embedding and expansion methods for electronic systems"
Conference outing
19:00 - ... Conference dinner


Saturday, 13.09.
Session:  Tackling large systems III: multi-scale modelling (Chair: Joan-Emma Shea, UC Santa Barbara, USA)
9:30 - 10:15 Tim Kaxiras (Harvard, USA) "Modelling of complex physical systems across length scales: progress and problems"
Coffee break
10:45 - 11:15 Robert McMeeking (UC Santa Barbara, USA) "Ferroelectric ceramics and textile composites as examples of the need for multi-scale modelling"
11:15 - 12:00 Daan Frenkel (FOM Institute for Atomic and Molecular Physics, NL) "Catalyzed crystal nucleation"
12:00 - 12:15 Closing remarks