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Water & Aqueous Solutions
Gordon Research Conference

Dates

August 8-13, 2010

Location

Holderness School
Holderness, NH

Organizers

Chairs:
Pavel Jungwirth & Victoria Buch

Vice Chair:
Dor Ben-Amotz

Meeting Description

Water is "IN"!

Water covers more than two thirds of the surface of the Earth and about the same fraction of water forms the total mass of a human body. Since the early days of our civilization water has also been in the focus of technological developments, starting from converting it to wine to more modern achievements. The meeting will focus on recent advances in experimental, theoretical, and computational understanding of the behavior of the most important and fascinating liquid in a variety of situations and applications. The emphasis will be less on water properties per se than on water as a medium in which fundamental dynamic and reactive processes take place.

In the following sessions, speakers will discuss the latest breakthroughs in unraveling these processes at the molecular level:

  • Water in Solutions
  • Water in Motion I & II
  • Water in Biology I & II
  • Water in the Environment I & II
  • Water in Confined Geometries
  • Water in Discussion (keynote lecture and poster winners presentations)

Contributors

Meeting Program

SUNDAY
2:00 pm - 9:00 pmArrival and Check-in (Office Closed 6:00 pm - 7:00 pm)
6:00 pmDinner
7:30 pm - 7:35 pmWelcome / Introductory Comments by GRC Site Staff
7:35 pm - 9:30 pmWATER IN BIOLOGY I
7:35 pm - 7:45 pmDiscussion Leader: Teresa Head-Gordon (University of California Berkeley)
"Introduction"
7:45 pm - 8:10 pm Paul Cremer (Texas A&M University)
"Do Osmolytes Stabilize/Denature Proteins by Changing Water Structure?"
8:10 pm - 8:20 pm Discussion
8:20 pm - 8:45 pm Angel Garcia (Rensselaer Polytechnic Institute)
"High Pressure Effects on Protein Folding"
8:45 pm - 8:55 pm Discussion
8:55 pm - 9:20 pm Joe Dzubiella (Technical University Munich)
"'Modeling solvation and salt effects on the folding of short peptides"
9:20 pm - 9:30 pm Discussion
MONDAY
7:30 am - 8:30 amBreakfast
8:45 amGroup Photo
9:00 am - 12:30 pmWATER IN MOTION I
9:00 am - 9:10 amDiscussion Leader: Branka Ladanyi (Colorado State University)
"Introduction"
9:10 am - 9:35 am Sylvie Roke (Max-Planck-Institut für Metallforschung)
"The structure and vibrational dynamics of water at the nanoscopic oil droplet/water interface"
9:35 am - 9:50 am Discussion
9:50 am - 10:15 am David Bartels (University of Notre Dame)
"H atoms, OH radicals, and Hydrated Electron Reactions in Supercritical Water"
10:15 am - 10:30 am Discussion
10:30 am Coffee Break
11:10 am - 11:35 am Ilan Benjamin (University of California Santa Cruz)
"Water Dynamics and Chemical Reactivity at Aqueous Interfaces"
11:35 am - 11:50 am Discussion
11:50 am - 12:15 pm Mark Berg (University of South Carolina)
"Water Dynamics near DNA"
12:15 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmWATER IN THE ENVIRONMENT I
7:30 pm - 7:40 pmDiscussion Leader: Franz Geiger (Northwestern University)
"Introduction"
7:40 pm - 8:05 pm Kaliat Valsaraj (Louisiana State University)
"Adsorption and Reactions in Water Thin Films in Atmospheric Aerosols"
8:05 pm - 8:15 pm Discussion
8:15 pm - 8:40 pm Martina Roeselová (Academy of Sciences of the Czech Republic)
"Water Uptake and Microscopic Wetting of Heterogeneous Organic Surfaces Investigated by Molecular Simulations"
8:40 pm - 8:50 pm Discussion
8:50 pm - 9:15 pm Sergey Nizkorodov (University of California Irvine)
"Hygroscopic Growth of Nanoparticles Containing Surface Active Molecules"
9:15 pm - 9:30 pm Discussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmWATER IN CONFINED GEOMETRIES
9:00 am - 9:10 amDiscussion Leader: Pablo Debenedetti (Princeton University)
"Introduction"
9:10 am - 9:35 am Mark Johnson (Yale University)
"Probing the Energy Onset for Large Amplitude Motion in Water Clusters Using Pump-Probe Infrared Double Resonance"
9:35 am - 9:50 am Discussion
9:50 am - 10:15 am Martina Havenith (Ruhr University Bochum)
"Aggregation Induced Dissociation of HCl(H2O)4 below 1 K: The Smallest Droplet of Acid"
10:15 am - 10:30 am Discussion
10:30 am Coffee Break
11:10 am - 11:35 am Ron Shen (University of California Berkeley)
"Vibrational Spectroscopy on Hydrophilic and Hydrophobic Water Interfaces"
11:35 am - 11:50 am Discussion
11:50 am - 12:15 pm Chris Mundy (Pacific Northwest National Laboratory)
"Towards an Understanding of Specific Ion Effects at the Air-Water Interface Using Density Functional Theory"
12:15 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmWATER IN SOLUTIONS
7:30 pm - 7:40 pmDiscussion Leader: Austen Angell (Arizona State University)
"Introduction"
7:40 pm - 8:05 pm Kersti Hermansson (Uppsala University)
"4 or 2? Red or Blue? OH Vibrations as a Probe of the Local Environment in Water"
8:05 pm - 8:15 pm Discussion
8:15 pm - 8:40 pm Doug Doren (University of Delaware)
"Accurate Calculations of Aqueous Fluids in Extreme Conditions"
8:40 pm - 8:50 pm Discussion
8:50 pm - 9:15 pm Phil Mason (Cornell University)
"Molecular Insight into the Hofmeister Series"
9:15 pm - 9:30 pm Discussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmWATER IN BIOLOGY II
9:00 am - 9:10 am Discussion Leader: Doug Tobias (University of California Irvine)
"Introduction"
9:10 am - 9:35 am Robert Eisenberg (Rush University Medical Center)
"Bubbles, Gating, Anesthetics, and Selectivity in Ion Channels"
9:35 am - 9:50 am Discussion
9:50 am - 10:15 am Steve White (University of California Irvine)
"Structure and Hydration of Voltage-Sensor Domains in Membranes"
10:15 am - 10:30 am Discussion
10:30 am Coffee Break
11:10 am - 11:35 am Nobuyuki Matubayasi (Kyoto University)
"Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective"
11:35 am - 11:50 am Discussion
11:50 am - 12:15 pm Thomas Record (University of Wisconsin - Madison)
"Quantifying Competitive Interactions of Water and Solutes or Salt Ions with Molecular Surfaces in Aqueous Solution"
12:15 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
(Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair)
7:30 pm - 9:30 pmWATER IN MOTION II
7:30 pm - 7:40 pm Discussion Leader: Rich Saykally (University of California Berkeley)
"Introduction"
7:40 pm - 8:05 pm Bertil Halle (Lund University)
"Molecular Motions in Supercooled Water"
8:05 pm - 8:15 pm Discussion
8:15 pm - 8:40 pm Damien Laage (École Normale Supérieure Paris)
"The Molecular Jump Mechanism: A Model to Understand Water Dynamics in Different Environments"
8:40 pm - 8:50 pm Discussion
8:50 pm - 9:15 pm Noam Agmon (Hebrew University of Jerusalem)
"Water-Water and Proton-Water Correlation Functions"
9:15 pm - 9:30 pm Discussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmWATER IN THE ENVIRONMENT II
9:00 am - 9:10 am Discussion Leader: Heather Allen (Ohio State University)
"Introduction"
9:10 am - 9:35 am Daniel Knopf (Stony Brook University)
"Atmospheric Aqueous Aerosols: Phase Transitions and Interfacial Processes"
9:35 am - 9:50 am Discussion
9:50 am - 10:15 am Marcelo Carignano (Purdue University)
"Growth, Melting and Stability of Ice Particles. Gibbs-Thomson Effect"
10:15 am - 10:30 am Discussion
10:30 am Coffee Break
11:10 am - 11:35 am Vlad Sadtchenko (George Washington University)
"Thin Films of Amorphous Solid Water and Cryogenic Solutions as Model Environmental Substrates: Insight from Fast Scanning Calorimetry Studies"
11:35 am - 11:50 am Discussion
11:50 am - 12:15 pm Benny Gerber (Hebrew University of Jerusalem)
"Atmospherically-Relevant Reactions in Water Clusters and at Ice Particles"
12:15 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 8:30 pmWATER IN DISCUSSION
7:30 pm - 7:40 pm Discussion Leader: Alan Soper (Rutherford Appleton Laboratory)
"Introduction"
7:40 pm - 8:05 pm Michele Parrinello (ETH Zurich)
"Quantum Water"
8:05 pm - 8:20 pm Discussion
8:30 pm - 9:30 pmSELECTED STUDENT AND POST-DOC POSTER PRESENTERS
Discussion Leader: Nancy Levinger (Colorado State University)
(Presentations TBA)
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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