Dynamics theory and experiment 1. Atomic motion and energy flow in the reacting molecules. 2. Atomic motion and energy flow in the reacting surface/substrate. 3. Electron motion and energy transitions.

Dynamics – catalysis 1. Homogeneous catalysis 2.Biocatalysis 3.Heterogeneous catalysis In terms of the motion of atoms and electrons, all three areas of catalysis have similar dynamical issues.

Dynamics Atomic motion and energy flow in the reacting molecules. Heterogeneous – available base: molecular beam and laser-based experiments coupled with computer simulations -- small molecules interacting with ordered surfaces, e.g., H 2 and CH 4 on single crystal metals. Opportunities -- more complex surfaces, particularly surfaces with nanometer scale structures such as small metal or metal oxide particles on an oxide support.

Dynamics Atomic motion and energy flow in the reacting surface.. Not widely studied but often invoked as important. Opportunity for: Scanning probe microscopy and spectroscopy Femtochemistry Real-time imaging of reactions

Dynamics Electron motion and energy transitions.. An emerging opportunity: Spatially and temporally resolved photon and electron microscopy and spectroscopy. Core issue: Can nanostructured catalysts be synthesized to control excitation cross sections and enhance excitation lifetimes?

Dynamics Atomic motion and energy flow in the reacting molecules. Biocatalysis – available base – ensemble average spectroscopy and kinetics. Opportunities – single molecule spectroscopy and kinetics of enzyme activity will reveal detailed conformational motions.

Dynamics provides the molecular level basis for determining kinetic parameters: Reaction rate constants Diffusion coefficients Nanostructured catalysts are inherently heterogeneous and will require kinetic descriptions beyond mean-field Evolution of spatio-temporal patterns in reacting systems