Sunday |
2:00 pm - 9:00 pm | Arrival and Check-in |
6:00 pm | Dinner |
7:30 pm - 7:35 pm | Welcome / Introductory Comments by GRC Site Staff |
7:35 pm - 9:30 pm | Reactions in the Atmosphere: Energy and
Climate |
| Discussion Leader: Scott Kable (University of New South Wales, Australia) |
7:35 pm - 8:05 pm | Marsha Lester (University of Pennsylvania, USA) "Dynamics of Hydrogen Transfer Reactions in Atmospheric Chemistry" |
8:05 pm - 8:15 pm | Discussion |
8:15 pm - 8:45 pm | Benny Gerber (University of California, Irvine, USA) "Mechanisms and Dynamics in Time of Acid Ionization on Liquid Water and Ice Surfaces" |
8:45 pm - 8:55 pm | Discussion |
8:55 pm - 9:25 pm | Nicholas Shuman (Air Force Research Laboratory, USA) "Chemi-Ionization of Lanthanide Metals at 200 km" |
9:25 pm - 9:30 pm | Discussion |
Monday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Intermolecular Interactions and Dynamics |
| Discussion Leader: Timothy Zwier (Purdue University, USA) |
9:00 am - 9:30 am | Xueming Yang (Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, China) "Dynamics of the O(1D) + CH4 Reaction: Insertion or Abstraction" |
9:30 am - 9:40 am | Discussion |
9:40 am - 10:10 am | Joel Bowman (Emory University, USA) "Ab Initio Potentials and Dynamics in High Dimensionality: Applications Ranging from the IR Spectroscopy of Methane Hydrate Clathrates to Energy Transfer in Gas-Phase Methane Collisions with Water" |
10:10 am - 10:20 am | Discussion |
10:20 am - 10:50 am | Coffee Break |
10:50 am - 11:20 am | Sotiris Xantheas (Pacific Northwest National Laboratory, USA) "Stabilization and Reactivity of Multi-Valent Metal Cations in an Aqueous Environment: The Role of Excited States" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:00 pm | Heather Lewandowski (University of Colorado Boulder, USA) "Chemical Reactions of Cold Molecular Ions and Molecular Radicals" |
12:00 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Wojciech Skomorowski (University of Kassel, Germany) "Quantum Phenomena in Low-Energy Penning Ionization Reaction with State-Selected Reactants" |
12:25 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 | Dynamics of Biological Systems |
| Discussion Leader: Jan Verlet (Durham University, United Kingdom) |
7:30 pm - 8:00 pm | Christine Peter (University of Konstanz, Germany) "Challenges for the Development of Multiscale Simulation Models for Biomolecular Systems" |
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Christopher Cheatum (University of Iowa, USA) "Enzyme Dynamics and Their Role in Enzyme-Catalyzed Reactions" |
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:20 pm | Sharon Hammes-Schiffer (University of Illinois at Urbana-Champaign, USA) "Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer Processes" |
9:20 pm - 9:30 pm | Discussion |
Tuesday |
7:30 am - 8:30 am | Breakfast |
8:30 am | Group Photo |
9:00 am - 12:30 pm | Interactions and Dynamics in Materials |
| Discussion Leader: Valeria Kleiman (University of Florida, USA) |
9:00 am - 9:30 am | Tamar Seideman (Northwestern University, USA) "Current-Driven Molecular Dynamics in Nanoelectronics" |
9:30 am - 9:40 am | Discussion |
9:40 am - 10:10 am | Alan Aspuru-Guzik (Harvard University, USA) "Many-Body Dispersion Effects in the Dynamics and Interactions of Molecules and Two-Dimensional Materials" |
10:10 am - 10:20 am | Discussion |
10:20 am - 10:50 am | Coffee Break |
10:50 am - 11:20 am | Scott Reid (Marquette University, USA) "Dynamics of Excimer Formation in Model Multichromophoric Assemblies" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:00 pm | Irene Burghardt (Goethe University Frankfurt, Germany) "Quantum Dynamics of Excitonic and Charge Transfer Processes in Functional Organic Polymer Materials" |
12:00 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Heidi Hendrickson (Yale University, USA) "Mechanisms for Allosteric Inhibition of Protein Tyrosine Phosphatase 1B" |
12:25 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 | Dynamics and Reactions in Solutions and in
Clusters |
| Discussion Leader: Valeria Molinero (University of Utah, USA) |
7:30 pm - 8:00 pm | Andrew Orr-Ewing (University of Bristol, United Kingdom) "Transient Infra-Red Spectroscopy of Solute and Solvent Dynamics for Chemical Reactions in Solution" |
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Stephen Bradforth (University of Southern California, USA) "Time-Resolving Reactions in Bulk and Interfacial Water with Photoelectron Spectroscopy" |
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:20 pm | Hanna Reisler (University of Southern California, USA) "Imaging Studies of Photoinitiated Decomposition of Molecules and Clusters" |
9:20 pm - 9:30 pm | Discussion |
Wednesday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Interfacial Dynamics and Reactions |
| Discussion Leader: David Nesbitt (JILA, University of Colorado Boulder, USA) |
9:00 am - 9:15 am | Sarah King (Fritz Haber Institute of the Max Planck Society, Germany) "Dynamics and Reactivity of Trapped Electrons at the Amorphous Solid Water/Vacuum Interface" |
9:15 am - 9:20 am | Discussion |
9:20 am - 9:35 am | Steven Strong (University of Colorado Boulder, USA) "The Dynamical Hydrophobic Effect in Nanoporous Graphene" |
9:35 am - 9:40 am | Discussion |
9:40 am - 10:10 am | Ilan Benjamin (University of California, Santa Cruz, USA) "Molecular Interactions and Dynamics at the Water/Oil Interface" |
10:10 am - 10:20 am | Discussion |
10:20 am - 10:50 am | Coffee Break |
10:50 am - 11:20 am | Alec Wodtke (Max Planck Institute for Biophysical Chemistry, Germany) "The Influence of Electron Hole Pair Excitation on Adsorption" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:00 pm | Francesco Paesani (University of California, San Diego, USA) "Many-Body Molecular Dynamics: A New Methodology for Computer Simulations with Chemical and Spectroscopic Accuracy of Aqueous Systems from the Gas to the Condensed Phase" |
12:00 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Marissa Weichman (University of California, Berkeley, USA) "Slow Photoelectron Velocity-Map Imaging (SEVI) Spectroscopy of Cryo-Cooled Anions" |
12:25 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 in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair |
7:30 pm - 9:30 pm | Unraveling the Dynamics of Catalytic Reactions |
| Discussion Leader: Bruce Kay (Pacific Northwest National Laboratory, USA) |
7:30 pm - 8:00 pm | Tanja Cuk (University of California, Berkeley, USA) "Charge Dynamics and Catalytic Intermediates at Solid-Liquid Interfaces" |
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Etienne Garand (University of Wisconsin-Madison, USA) "Probing Catalytic Reaction Intermediates with Cryogenic Ion Vibrational Spectroscopy" |
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:20 pm | Thomas Miller (California Institute of Technology, USA) "Computationally Guided Design of Polymer Electrolytes for Battery Applications" |
9:20 pm - 9:30 pm | Discussion |
Thursday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Photochemistry and Nonadiabatic Dynamics |
| Discussion Leader: David Yarkony (Johns Hopkins University, USA) |
9:00 am - 9:30 am | David Osborn (Sandia National Laboratories, USA) "Photodissociation of Acetylacetone: What Happens When One Molecule Is both a Ketone and an Enol" |
9:30 am - 9:40 am | Discussion |
9:40 am - 10:10 am | Laurie Butler (University of Chicago, USA) "Chemical Reaction Dynamics of Radical Intermediates" |
10:10 am - 10:20 am | Discussion |
10:20 am - 10:50 am | Coffee Break |
10:50 am - 11:20 am | Albert Stolow (University of Ottawa / National Research Council, Canada) "Towards Polanyi Rules for Polyatomics: Vibrational Dynamics at Conical Intersections" |
11:20 am - 11:30 am | Discussion |
11:30 am - 12:00 pm | Hua Guo (University of New Mexico, USA) "Quantum Non-Adiabatic Dynamics in Photodissociation" |
12:00 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Kana Takematsu (Bowdoin College, USA) "Probing Charge Transfer Processes in Modified Azurin and Aminonaphthol Compounds" |
12:25 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 | Paradigms of Molecular Interactions and Dynamics |
| Discussion Leader: Anne McCoy (University of Washington, USA) |
7:30 pm - 8:00 pm | Stephen Leone (University of California, Berkeley, USA) "An X-Ray Spectroscopic Revolution in Time-Resolved Molecular Dynamics" |
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Leticia Gonzalez (University of Vienna, Austria) "Ultrafast Excited State Dynamics Including Intersystem Crossing. Challenges and Case Studies" |
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:20 pm | Richard Zare (Stanford University, USA) "All About H2" |
9:20 pm - 9:30 pm | Discussion |
Friday |
7:30 am - 8:30 am | Breakfast |
9:00 am | Departure |