Agenda

1
Agenda

• 0830
• History of the IFPSC
• Daniel Friend, NIST
• 0835
• Challenge Details and Benchmark Data
• Jim Olson, Dow Chemical
• 0850
• (unofficial entry)
• Sabyasachi Sen, Invensys
• 0900
• 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
• 0920
• Automatic tailoring of parameters for robust and
  broad range property

2

• 0940
• 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
• 1000
• 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
• 1020
• 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