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Sunday October 3, 2004 (Holiday Inn)

7:00 PM Refreshments  
7:30 PM Welcome & Logistics Celeste Rohlfing
7:40 PM Welcome Art Ellis
7:50 PM Welcome Teresa Head-Gordon
Mark Gordon
8:00 PM "Towards a Common Cyber-Enabled Computational Chemistry: Data Representation, Scientific Workflow, & Computing" Kim Baldridge
8:30 PM "BioCoRE: Cyber-Enabled Biochemistry" Jesus Izaguirre
9:00 PM "Chemistry Informatics for Industry and Academia: The Role of Commercial Software and Databases" Seth Pinsky
9:30 PM "Computational Science & Engineering Online: Progress and Perspectives" Thanh Truong

Monday October 4, 2004 (NSF Headquarter)
 
Rm: 375    
8:00 AM Refreshments (Available all day)
8:30 AM Welcome Sang Kim
 

Breakout Rms

  Core Chem. Chem. at Interface Comp. & Exptl. Chem. Interactions Grand Challenge Chem.
9:00 AM Rm. 375 Rm. 1060 Rm. 370 Rm. 320

(chair)

Todd Martinez Julia Rice Joe Francisco Martyn Guest

(co-chair)

Theresa Windus Jim Kubicki Ken Jordan Chris Cramer
  Thanh Truong Terry Stouch Seth Pinsky Kim Baldridge
  Tom Holme Howard Bilofsky Anne Chaka Alistair Rendell
  Ricky Kendall Jesus Izaguirre Alanah Fitch Thom Dunning
  Neil Ostlund Jeffry Madura Will Polik Jim Myers
  Jean Standard David Whisnant Jeff Nichols Glenn Martyna
  Mike Colvin Nancy Amato Mike Frenkel Susan Sinnott
  John Harkless David Kofke Marti Head Sharon Glotzer
  Steven Rick Kirby Vandivort Jay Ponder Michael Mahoney
      Chris Roland Celeste Sagui
Rm. 375    
12:00 PM Lunch  
2:00 PM "MPC Cyber Workshop Report" Shenda Baker
 

Breakout Rms

  Software & Algorithms Hardware Infrastructure Database  & Cheminformatics Education & Training Remote Chemistry
2:30 PM Rm. 375 Rm. 1060 Rm. 370 Rm. 320 Rm. 920

(chair)

Sharon Glotzer Richy Kendall Anne Chaka Tom Holme Thom Dunning

(co-chair)

Susan Sinnott Jeff Nichols Jeffry Madura Will Polik Alanah Fitch
  Alistair Rendell Todd Martinez Howard Bilofsky Neil Ostlund Kim Baldridge
  Jesus Izaguirre Chris Cramer Seth Pinksy David Whisnant Glenn Martyna
  Jay Ponder Martyn Guest Joe Francisco David Kofke Shenda Baker (PM only)
  Theresa Windus Julia Rice Marti Head John Harkless Jim Myers
  Michael Mahoney Mike Colvin Mike Grenkel Jean Standard Ken Jordan
  Kirby Vandivort Terry Stouch Jim Kubicki Thanh Truong Steven Rick
  Nancy Amato Chris Roland Celeste Sagui    

Tuesday October 5, 2004 (NSF Headquarter)
 
Rm. 375  
8:00 AM Refreshments
8:30 AM Reports from 4 Monday Morning Breakout Sessions
10:00 AM Break
10:20 AM Reports from 5 Monday Afternoon Breakout Sessions
12:00 PM Adjourn

 

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