Agenda for the IFPSC session in Salt Lake City

Submitted by site admin on Sat, 2007-11-03 21:56.
Here is the agenda for the IFPSC session in Salt Lake City.  See you there!

Thursday, November 8, 2007: 8:30 AM-11:00 AM
M - Salon G (Marriott Salt Lake City-Downtown)

08:30
History of the IFPSC
Daniel Friend, NIST

08:35
Challenge Details and Benchmark Data
Jim Olson, Dow Chemical

08:50
(unofficial entry)
Sabyasachi Sen, Invensys

09:00
Development of the TraPPE-UA force field for Ethylene Oxide
MaryBeth H. Ketko, Jake Rafferty, J. Ilja Siepmann and Jeffrey J. Potoff
Wayne State University and University of Minnesota

09:20
Automatic tailoring of parameters for robust and broad range property predictions by simplex optimization
Thomas Müller, Sudip Roy, Wei Zhao, Florian Müller-Plathe, Astrid Maaß, and Dirk Reith
Tech. Univ. of Darmstadt and the Fraunhofer Inst. for Scientific Computing and Algorithms

09:40
One Force Field for Predicting Multiple Thermodynamic Properties of Liquid and Vapor Ethylene Oxide
XiaoFeng Li, Lifeng Zhao, Tao Cheng, Lianchi Liu, and Huai Sun
Shanghai Jiao Tong University

10:00
On the Application of Force Fields for Predicting a Wide Variety of Properties: Ethylene Oxide as an Example
Bernhard Eckl, Jadran Vrabec, and Hans Hasse
Universitat Stuttgart

10:20
Development of a transferable all-atom force field for ethylene oxide and its application to the calculation of 17 thermophysical properties
Jake. L. Rafferty, Neeraj Rai,  Manish S. Kelkar, J. Ilja Siepmann, Edward J. Maginn
University of Minnesota and University of Notre Dame

10:40
Announcement of Champions
Anne Chaka, NIST

10:50
Discussion of Future Challenges
Jonathan Moore, Dow Chemical