Workshop Details
Telluride Workshop on the Microscopic Description of Gas Clathrate
07/12/2010 - 07/16/2010
Meeting Description:

This workshop was supported in part by the Center from Simulation and Modeling, Univ. of Pittsburgh (www.sam.pitt.edu)

With this follow-up meeting, we hope to build on the success of the previous meeting by bringing together many of the former participants along with a new group of participants of international reputation.

In the last 20 years research on gas clathrate hydrates has accelerated due to the discovery of huge natural deposits of methane hydrate. A theoretical description of these species is difficult due to the fact that the details of their structure, stability and dynamics are controlled by a sensitive balance of hydrogen bonding of the lattice and weak interactions between the water lattice and the guest molecule. Only recently have theoretical methods advanced to the point so that they are useful for a first principles analysis of the data regarding these systems. The synergy between theory and experiment on these systems is still in its infancy. We propose to bring together 20-30 scientists who are working on problems for which the experimental-theoretical synergy may be expected to be advanced over the next several years. Experimentalists will present data for which theoretical modeling may be useful, and theoreticians will present the latest computational tools that can be applied to interpreting experiments. Speakers will be encouraged to speculate on which new work may be most useful for continued progress. Considerable time will be allotted for discussing which types of new data and calculations will be most useful for advancing the field. The participants will be chosen to include both acknowledged experts and novices to enhance opportunities for fresh insights to be held up to the scrutiny of existing knowledge.


Notes:

Schedule of Presentations and Events

Sunday Evening
7:30-9:30 Attendee welcome and informal gathering at New Sheridan Historic Bar (not the hotel lobby bar, and not the not the Chop House Restaurant bar)

Monday Morning Session
7:30-8:30 Breakfast
8:30-8:45 Opening Remarks
9:00-9:45 John Ripmeester , “Explorations of hydrate processes”
10:00-10:45 Paul Devlin, “Nucleation and crystallization of clathrate hydrates from aqueous- solution nanodroplets on a sub-second time scale”
11:00-11:15 Coffee Break
11:15-12:00 Bjorn Kvamme, "Molecular simulations as a tool for multiscale modelling of phase transition kinetics"

Monday Afternoon Session
2:00-2:45 Mark Rodger, “Hydrates and Hydrate Inhibitors - a modeller's perspective”
3:00-3:45 David Wu, “Clathrate Hydrate Nucleation from MD Simulations: Observations and Analysis of Molecular Ordering”
4:00-4:15 Coffee Break
4:15-5:00 Valeria Molinero, "Mechanisms of nucleation and growth of clathrates studied through molecular simulations"
5:00-5:30 Group Discussion

Tuesday Morning Session
7:30-8:30 Breakfast
8:30-9:15 Sotiris Xantheas, “Ab-initio studies of water cages: A bottom-up approach for building 3-D networks of structure I (sI) hydrate lattices”
9:30-10:15 Felix Lehmkuehler, “Formation of hydrates studied with x-ray scattering”
10:30-10:45 Coffee Break
11:00-11:45 Chris Ratcliffe, “The Application of Solid State NMR in the Study of Clathrate Hydrates”
11:45-12:00 Group Discussion

Tuesday Afternoon
12:00-6:00 Free Time (6 hours)

Tuesday Evening
6:00-7:15 Town Talk at Telluride Intermediate School, Palm Theater:

"Coca versus Cocaine: How an ancient medicinal plant became a modern narcotic drug" by Carol Conzelman, Ph. D., Cultural Anthropology, University of Colorado and University of Denver Visiting Lecturer

Wednesday Morning Session
7:30-8:30 Breakfast
8:30-9:15 Werner Kuhs, “Gas-water interactions at surfaces and interfaces”
9:30-10:15 Tatiana Kuznetsova, “Impact of solid surfaces on hydrate stability and reformation potential”
10:30-10:45 Coffee Break
10:45-11:30 Soohaeng Yoo, “Studies of hydrogen storage capacity in structure I (sI) hydrate lattices”
11:45-12:00 Group Discussion

Wednesday Afternoon
12:00-6:00 Free Time ( 6 hours)

Wednesday Evening Session
6:30-7:15 Kenneth Jordan, “Simulations of Gas Hydrates with Accurate Force Fields”
7:30-7:45 Guozhen Zhang, TBA
8:00-9:30 Group Dinner (The Chop House, Cosmo, or La Marmotte)

Thursday Morning
Free Time until 2:00 p.m.

Thursday Afternoon
2:00-2:45 Kenneth Janda, TBA
3:00-3:45 Peter Kusalik, “Exploring Crystal Formation and Growth of Gas Hydrates”
4:00-4:15 Coffee Break
4:15-5:00 Yasuoka Kenji, TBA

Thursday Evening
6:00 Picnic (Sponsored by TSRC)

Friday Morning
7:30-9:00 Breakfast
9:00-9:45 Camille Jones, “Dynamics of propylene oxide guests in type II clathrate hydrate”
10:00-10:45 Ryuji Sakamaki, "Accelerating molecular simulations to investigate the properties of clathrate hydrate by using Graphic Processing Units"
11:00-11:15 Coffee Break
11:15-11:45 Peter Kusalik, “Future Directions,” (Group Discussion)
11:45-12:00 Workshop wrap-up


Meeting Venue:

Telluride Intermediate School
725 West Colorado Telluride CO 81435

Registered Meeting Participants:
Participant Organization Arrival Information Departure Information Interested in Sharing Transportation?
Devlin, J Paul Oklahoma State University 7/11
7/17
Janda, Kenneth University of California 7/11
7/18
Jones, Camille Hamilton College 7/10
7/17
Y
Jordan, Kenneth Univ. of Pittsburgh 7/11
7/15
Y
Kuhs, Werner F Univ. Goettingen 7/11
7/18
Kusalik, Peter University of Calgary 7/10
7/17
Kuznetsova, Tatiana University of Bergen 7/11
7/17
Y
Kvamme, Bjorn University of Bergen
Lehmkuehler, Felix TU Dortmund 7/11
7/17
Y
Molinero, Valeria University of Utah 7/11
7/17
Y
Ratcliffe, Christopher National Research Council of Canada 7/11
7/16
Ripmeester, John National Research Council Canada
Rodger, Mark University of Warwick 7/11
7/16
Y
Sakamaki, Ryuji Keio University 7/11
7/16
Y
Wu, David Colorado School of Mines 7/11
7/14
Xantheas, Sotiris [2nd Reservation] Pacific Northwest National Laboratory
Yasuoka, Kenji Keio University
Yoo, Soohaeng Pacific Northwest National Laboratory 7/11
7/16
Zhang, Guozhen University of Pittsburgh 7/12
7/16
Y

Telluride Science Research Center
Post Office Box 2429, Telluride CO 81435
Tel: + 970.708.4426
Email: info@telluridescience.org
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