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Water and Aqueous Solutions
Gordon Research Conference

Latest Experimental and Theoretical Advances in Water Research

Dates

July 27 - August 1, 2014

Location

Holderness School
Holderness, NH

Organizers

Chair:
Douglas Tobias

Vice Chair:
Nancy E. Levinger

Meeting Description

"Water, water, everywhere..." Samuel Taylor Coleridge, The Rime of the Ancient Mariner, 1798

Water courses through our veins, carves our planet, blankets our atmosphere, and is a key player as both solvent and reactant in myriad physical, chemical, and biological processes. Water's ubiquity in our lives and its reign as the king of anomalous substances continues to stimulate countless scientific inquiries into the origins and implications of the fascinating and intriguing behavior that belies its simple molecular structure. This Gordon Research Conference will continue its long tradition of providing a snapshot of cutting edge breakthroughs in water research, split roughly equally between experimental and theoretical/computational studies. Specific topics to be covered include: water behavior across the phase diagram, water behavior at interfaces, aqueous solvation of hydrophobic and hydrophilic solutes, confined water, and water in biology.

This conference will be preceded by a two-day Gordon Research Seminar (GRS), held exclusively for graduate students and postdoctoral scientists, organized by Matthias Heyden (Chair) and Natasha Rhys (Vice-Chair).

Continuing a roughly decade-long tradition, this GRC will feature short talks by graduate students and postdoctoral scientists, selected via a competition of posters presented at the meeting.

Related Meeting

This GRC was held in conjunction with the "Water and Aqueous Solutions" Gordon Research Seminar (GRS). Refer to the associated GRS program page for more information.

Contributors

Meeting Program

SUNDAY
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmWater Anomalies
Discussion Leader: Austen Angell (Arizona State University)
7:45 pm - 8:15 pmEugene Stanley (Boston University)
"Anomalous Fluctuations in Water and Other Tetrahedral Liquids Under Stable and Metastable Conditions"
8:15 pm - 8:30 pmDiscussion
8:30 pm - 9:00 pmGren Patey (University of British Columbia)
"Understanding the Origin of Water's Anomalies: Insights from Large-Scale Simulations of the TIP4P/2005 Model"
9:00 pm - 9:15 pmDiscussion
9:15 pm - 9:30 pmGeneral Discussion
MONDAY
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmStructure and Dynamics of Water and Aqueous Solutions
Discussion Leader: Christopher Mundy (Pacific Northwest National Laboratory)
9:00 am - 9:30 amAli Hassanali (Abdus Salam International Center for Theoretical Physics)
"Percolating Hydrogen Bond Networks in Acid-Base Chemistry"
9:30 am - 9:45 amDiscussion
9:45 am - 10:15 amJohn Fulton (Pacific Northwest National Laboratory)
"High-Resolution Ion-Water and Ion-Ion Structures Refined from XAFS and Ab Initio MD"
10:15 am - 10:30 amDiscussion
10:30 amCoffee Break
11:00 am - 11:30 amEvan Williams (University of California, Berkeley)
"Ions in Aqueous Nanodrops: New Insights into Ion Hydration"
11:30 am - 11:45 amDiscussion
11:45 am - 12:15 pmThomas Kühne (Johannes Gutenberg University Mainz)
"Quantum Mechanics in a Glass of Water"
12:15 pm - 12:30 pmDiscussion
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 pmHydrophobic Solvation
Discussion Leader: Shekhar Garde (Rensselaer Polytechnic Institute)
7:30 pm - 8:00 pmJohn Weeks (University of Maryland)
"Dissecting Hydrophobic Hydration and Association"
8:00 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmDor Ben-Amotz (Purdue University)
"How Wet is the Inside of a Micelle?"
8:45 pm - 9:00 pmDiscussion
9:00 pm - 9:30 pmGeneral Discussion
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmAqueous Interfaces
Discussion Leader: Heather Allen (Ohio State University)
9:00 am - 9:30 amVeronica Vaida (University of Colorado, Boulder)
"Water-Air Interfaces: Special Chemical Environments"
9:30 am - 9:45 amDiscussion
9:45 am - 10:15 amJames Donaldson (University of Toronto)
"The Role of Solvation at the Air Interface with Solid and Liquid Aqueous Solutions"
10:15 am - 10:30 amDiscussion
10:30 amCoffee Break
11:00 am - 11:30 amFrancesco Paesani (University of California, San Diego)
"Coarse-Graining Electrons: Many-Body Water Potential with Chemical Accuracy for Simulations from Clusters to Interfaces"
11:30 am - 11:45 amDiscussion
11:45 am - 12:15 pmA.J. Colussi (California Institute of Technology)
"pKw of Interfacial Water"
12:15 pm - 12:30 pmDiscussion
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 pmBiomolecular Solvation Thermodynamics and Dynamics
Discussion Leader: Steven Corcelli (Notre Dame University)
7:30 pm - 8:00 pmSihyun Ham (Sookmyung Women's University)
"Distinct Role of Water in Protein Self-Assembly"
8:00 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmAlessandro Paciaroni (University of Perugia)
"Single Particle and Collective Dynamics in the Picosecond Timescale: From Biological Water of Cellular Components to Human Cells"
8:45 pm - 9:00 pmDiscussion
9:00 pm - 9:30 pmGeneral Discussion
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmWater Across the Phase Diagram
Discussion Leader: Valeria Molinero (University of Utah)
9:00 am - 9:30 amThomas Loerting (University of Innsbruck)
"Water's Two Glass Transitions"
9:30 am - 9:45 amDiscussion
9:45 am - 10:15 amIwao Ohmine (Institute for Molecular Science)
"Water Dynamics: Fluctuations and Phase Transitions"
10:15 am - 10:30 amDiscussion
10:30 amCoffee Break
11:00 am - 11:30 amChristoph Dellago (University of Vienna)
"A Neural Network Based Potential for Water"
11:30 am - 11:45 amDiscussion
11:45 am - 12:15 pmRachel Martin (University of California, Irvine)
"Hydrophobic Hydration, from Model Systems to Proteins"
12:15 pm - 12:30 pmDiscussion
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 in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmConfined Water
Discussion Leader: Sapna Sarupria (Clemson University)
7:30 pm - 8:00 pmDaniela Russo (CNR - IOM Italy and ILM Lyon France)
"Impact of Nano-Confinement and Hydrophilic/Hydrophobic Interfaces on Dynamics of Hydration Water"
8:00 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmGiulia Galli (University of Chicago)
"Water and Simple Aqueous Solutions at Surfaces and Under Confinement: Insights from First Principles Simulations"
8:45 pm - 9:00 pmDiscussion
9:00 pm - 9:30 pmGeneral Discussion
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmAqueous Solvation Dynamics
Discussion Leader: Damien Laage (École Normale Supérieure)
9:00 am - 9:30 amJames Hynes (University of Colorado, Boulder; and École Normale Supérieure)
"Water Dynamics in the Grooves of DNA"
9:30 am - 9:45 amDiscussion
9:45 am - 10:15 amBranka Ladanyi (Colorado State University)
"Aqueous Solvation of Oligopeptides and Oligosaccharides: Molecular Simulation of Polarizability Anisotropy Dynamics"
10:15 am - 10:30 amDiscussion
10:30 amCoffee Break
11:00 am - 11:30 amStephen Bradforth (University of Southern California)
"Photoelectron Processes in Liquid Water: Scattering, Ionization and New Methods for Probing Elementary Reactivity"
11:30 am - 11:45 amDiscussion
11:45 am - 12:15 pmMatthias Heyden (Max-Planck-Institut für Kohlenforschung)
"Correlated Vibrations of Proteins and Their Hydration Water"
12:15 pm - 12:30 pmDiscussion
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 pmKeynote Lecture and Poster Short Talks
Discussion Leader: Pavel Jungwirth (Academy of Sciences of the Czech Republic)
7:30 pm - 8:00 pmPhilip Ball (Freelance Science Writer)
"Water as Crystal, Structure Making and Breaking, and Other Aqueous Tales"
8:00 pm - 8:15 pmDiscussion
8:15 pm - 8:25 pmTBA (Short Talk Selected from Posters)
8:25 pm - 8:30 pmDiscussion
8:30 pm - 8:40 pmTBA (Short Talk Selected from Posters)
8:40 pm - 8:45 pmDiscussion
8:45 pm - 8:55 pmTBA (Short Talk Selected from Posters)
8:55 pm - 9:00 pmDiscussion
9:00 pm - 9:10 pmTBA (Short Talk Selected from Posters)
9:10 pm - 9:15 pmDiscussion
9:15 pm - 9:25 pmTBA (Short Talk Selected from Posters)
9:25 pm - 9:30 pmDiscussion
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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