Sunday |
2:00 pm - 9:00 pm | Arrival and Check-in |
6:00 pm | Dinner |
7:30 pm - 7:40 pm | Welcome / Introductory Comments by GRC Site Staff |
7:40 pm - 9:30 pm | Water Properties from Fundamental Studies |
| Discussion Leader: Francesco Paesani (University of California, San Diego, USA) |
7:40 pm - 7:45 pm | Opening Remarks |
7:45 pm - 8:00 pm | Introduction by Discussion Leader |
8:00 pm - 8:30 pm | Michael Duncan (University of Georgia, USA) "Cation-Solvent Clusters Studied with Selected
Ion Infrared Spectroscopy: A Molecular View of Solvation" |
8:30 pm - 8:45 pm | Discussion |
8:45 pm - 9:15 pm | James Skinner (University of Wisconsin-Madison, USA) "The Mystery of Water, Three-Body Interactions, and the Liquid-Liquid Critical Point" |
9:15 pm - 9:30 pm | Discussion |
Monday |
7:30 am - 8:30 am | Breakfast |
8:30 am | Group Photo |
9:00 am - 12:30 pm | How Water Drives Biology |
| Discussion Leader: Klaas Wynne (University of Glasgow, United Kingdom) |
9:00 am - 9:30 am | Joan-Emma Shea (University of California, Santa Barbara, USA) "Role of Aqueous Solutions in Regulating the Aggregation of Intrinsically Disordered Peptides" |
9:30 am - 9:45 am | Discussion |
9:45 am - 10:15 am | Steven Corcelli (University of Notre Dame, USA) "DNA Hydration: A Perspective from MD Simulations of Solvation Dynamics and Vibrational Spectroscopy" |
10:15 am - 10:30 am | Discussion |
10:30 am - 11:00 am | Coffee Break |
11:00 am - 11:30 am | Fabio Sterpone (Institut de Biologie Physico-Chimique, France) "Toward Microscopic Simulations of Proteins in Cell-Like Environments" |
11:30 am - 11:45 am | Discussion |
11:45 am - 12:15 pm | Gregory Voth (University of Chicago, USA) "Water Mediated Proton Transport in Proteins: A Remarkably Complex and Collective Phenomenon" |
12:15 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 | Extreme Environments |
| Discussion Leader: Pablo Debenedetti (Princeton University, USA) |
7:30 pm - 7:45 pm | Introduction by Discussion Leader |
7:45 pm - 8:15 pm | Livia Bove (CNRS / Université Pierre-et-Marie-Curie, France) "Exploring New Phenomena in Salty Water Under Extreme Conditions" |
8:15 pm - 8:30 pm | Discussion |
8:30 pm - 9:00 pm | Sotiris Xantheas (Pacific Northwest National Laboratory, USA) "Water in Extreme Environments: Modeling of Clathrate Hydrates and Structure and Speciation of Water Around Multivalent Metal Cations" |
9:00 pm - 9:15 pm | Discussion |
9:15 pm - 9:25 pm | Tianshu Li (George Washington University, USA) "The Duality of Ice Nucleation: Thermodynamically 'Simple' Yet Molecularly Complex" |
9:25 pm - 9:30 pm | Discussion |
Tuesday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Water in the Environment |
| Discussion Leader: Cari Dutcher (University of Minnesota, USA) |
9:00 am - 9:30 am | Valeria Molinero (University of Utah, USA) "What Determines the Structure of Ice in Clouds?" |
9:30 am - 9:45 am | Discussion |
9:45 am - 10:15 am | Margaret Tolbert (University of Colorado, USA) "Going Through a Phase: Loss of Aerosol Water upon Contact" |
10:15 am - 10:30 am | Discussion |
10:30 am - 11:00 am | Coffee Break |
11:00 am - 11:30 am | Dennis Hore (University of Victoria, Canada) "Interplay Between Water and Adsorbate Structure at Solid-Liquid Interfaces" |
11:30 am - 11:45 am | Discussion |
11:45 am - 12:15 pm | Alexander Kolesnikov (Oak Ridge National Laboratory, USA) "Dynamics of Water Under Ultra-Confinement" |
12:15 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 | Water Interactions: Playing with Others |
| Discussion Leader: Damien Laage (École Normale Supérieure, France) |
7:30 pm - 7:45 pm | Introduction by Discussion Leader |
7:45 pm - 8:15 pm | Martina Havenith (Ruhr University Bochum, Germany) "Introduction to THz Calorimetry: Hydration of Hydrophobic Surfaces" |
8:15 pm - 8:30 pm | Discussion |
8:30 pm - 9:00 pm | Douglas Tobias (University of California, Irvine, USA) "Ions and Acid-Base Chemistry at Aqueous Solution-Air Interfaces" |
9:00 pm - 9:15 pm | Discussion |
9:15 pm - 9:25 pm | Julia Ortony (Massachusetts Institute of Technology, USA) "Water Dynamics from the Surface to the Interior of a Supramolecular Nanostructure" |
9:25 pm - 9:30 pm | Discussion |
Wednesday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Touching Water: Surfaces and Interfaces |
| Discussion Leader: Heather Allen (Ohio State University, USA) |
9:00 am - 9:30 am | Franz Geiger (Northwestern University, USA) "The World's Thinnest Proton Channel" |
9:30 am - 9:45 am | Discussion |
9:45 am - 10:15 am | Amber Krummel (Colorado State University, USA) "Exploring the Vibrational Response of Cyanate in
Mixed Solvent Environments" |
10:15 am - 10:30 am | Discussion |
10:30 am - 11:00 am | Coffee Break |
11:00 am - 11:30 am | M. Scott Shell (University of California, Santa Barbara, USA) "Coarse-Grained Models of Water, Aqueous Solvation, and Hydrophobic Interactions" |
11:30 am - 11:45 am | Discussion |
11:45 am - 12:15 pm | Minhaeng Cho (Korea University, South Korea) "Graph Theory and Time-Resolved IR Studies of Water Structures in Various Solutions" |
12:15 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 | The Love-Hate Relationship of Water with Charges |
| Discussion Leader: Dominik Horinek (University of Regensburg, Germany) |
7:30 pm - 7:45 pm | Introduction by Discussion Leader |
7:45 pm - 8:15 pm | Pavel Jungwirth (Czech Academy of Sciences, Czech Republic) "Exploring Hydrated Electrons in Non-Conventional and Conventional Ways: From Alkali Metal Explosions to Non-Explosive Ways" |
8:15 pm - 8:30 pm | Discussion |
8:30 pm - 9:00 pm | Sylvie Roke (École Polytechnique Fédérale de Lausanne, Switzerland) "Electrolytes Induce Long-Range Orientational Order and Free Energy Changes in the H-Bond Network of Bulk Water" |
9:00 pm - 9:15 pm | Discussion |
9:15 pm - 9:25 pm | Timothy Marin (Benedictine University, USA) "Vacuum Ultraviolet Spectroscopy of the Lowest-Lying Electronic State in Sub-Critical and Supercritical Water" |
9:25 pm - 9:30 pm | Discussion |
Thursday |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Nucleation and Ice |
| Discussion Leader: Dor Ben-Amotz (Purdue University, USA) |
9:00 am - 9:10 am | Introduction by Discussion Leader |
9:10 am - 9:40 am | Mary Jane Shultz (Tufts University, USA) "Ice: Common Solid We Hardly Know" |
9:40 am - 9:55 am | Discussion |
9:55 am - 10:25 am | Sapna Sarupria (Clemson University, USA) "Elucidating Ice and Gas Hydrate Nucleation Mechanisms Using Large-Scale Rare Event Simulations" |
10:25 am - 10:40 am | Discussion |
10:40 am - 11:10 am | Coffee Break |
11:10 am - 11:25 am | Ran Drori (New York University, USA) "New Insights into the Interaction Between D2O Ice and H2O" |
11:25 am - 11:30 am | Discussion |
11:30 am - 11:45 am | Yuqing Qiu (University of Utah, USA) "Effect of Static and Dynamic Mismatch in the Heterogeneous Nucleation of Ice" |
11:45 am - 11:50 am | Discussion |
11:50 am - 12:05 pm | Robert Seidel (Helmholtz-Zentrum Berlin, Germany) "Photoelectron Angular Distributions from Liquid Water and Aqueous Solutions: Effects of Electron Scattering" |
12:05 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Shelby Straight (University of California, San Diego, USA) "Exploring Electrostatic Effects on the Hydrogen-Bond Network of Liquid Water Through Many-Body Molecular Dynamics" |
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 | From Water Molecules to Water Issues in the Real World |
| Discussion Leader: Veronica Vaida (University of Colorado Boulder, USA) |
7:30 pm - 7:45 pm | Introduction by Discussion Leader |
7:45 pm - 8:15 pm | Peter Rossky (Rice University, USA) "Understanding Hydration on a CPU Budget: Painting by the Numbers" |
8:15 pm - 8:30 pm | Discussion |
8:30 pm - 9:00 pm | Maureen McCarthy (University of Nevada, Reno, USA) "Water in the West: Where the Molecules Flow to Dry Land" |
9:00 pm - 9:15 pm | Discussion |
9:15 pm - 9:25 pm | General Discussion |
9:25 pm - 9:30 pm | Closing Remarks |
Friday |
7:30 am - 8:30 am | Breakfast |
9:00 am | Departure |