Symposium: (2009 Annual Meeting)

This preliminary program is subject to change.

Computational Molecular Science and Engineering Forum

The below sessions are either SPONSORED or CO-SPONSORED by this Area.

Monday, November 9, 2009

Monday | Tuesday | Wednesday | Thursday | Friday | top

8:30 AM-11:00 AM

20007 Computational Catalysis I: Methodology
John R. Kitchin and Randall J. Meyer

21008 Opportunities for Chemical Engineering in Petascale Computing [Invited Talks Only]
Sharon C. Glotzer and Peter T. Cummings

12:30 PM-3:00 PM

20008 Computational Catalysis II: Transition Metals
William F. Schneider and Andreas Heyden

15C10 Molecular Modeling of Biophysical Processes I
Yiannis Kaznessis and Elaine R. Chan

21010 Recent Advances in Molecular Simulation Methods I
Michael R. Shirts and C. Heath Turner

3:15 PM-5:45 PM

15C11 Molecular Modeling of Biophysical Processes II
Jhih-Wei Chu and Ravi Radhakrishnan

21009 Recent Advances in Molecular Simulation Methods II
Michael R. Shirts and C. Heath Turner

6:00 PM-8:00 PM

21003 Poster Session: Computational Molecular Science and Engineering Forum
Kristen A. Fichthorn and Clare McCabe

Tuesday, November 10, 2009

Monday | Tuesday | Wednesday | Thursday | Friday | top

3:15 PM-5:45 PM

01A17 Thermodynamics of Energy Systems
Hugh Docherty, Maaike C. Kroon, Ram B. Gupta and Khaled A. M. Gasem

Wednesday, November 11, 2009

Monday | Tuesday | Wednesday | Thursday | Friday | top

8:30 AM-11:00 AM

21000 First-Principles Simulation of Condensed Phases: Bulk Materials
Lev D. Gelb and Xiongce Zhao

12:30 PM-3:00 PM

21005 Chemistry and Kinetics Integrated CFD Modeling
Joseph T. Golab and Dale Snider

3:15 PM-5:45 PM

21011 First-Principles Simulation of Condensed Phases: Surfaces
Lev D. Gelb and Xiongce Zhao

Thursday, November 12, 2009

Monday | Tuesday | Wednesday | Thursday | Friday | top

8:30 AM-11:00 AM

21004 Industrial Applications of Computational Chemistry and Molecular Simulation I
Jonathan Moore and Joseph T. Golab

21006 Multi-Scale Modelling I
Abhijit Chatterjee and Talid R. Sinno

12:30 PM-3:00 PM

21001 Industrial Applications of Computational Chemistry and Molecular Simulation II
Martin Sanborn and Phillip R. Westmoreland

21007 Multi-Scale Modelling II
Yiannis N. Kaznessis and Kristen A. Fichthorn

3:15 PM-5:45 PM

08A19 Multiscale Modeling and Characterization of Polymers
Dr. Manolis Doxastakis and Ahmed E. Ismail

Friday, November 13, 2009

Monday | Tuesday | Wednesday | Thursday | Friday | top

8:30 AM-11:00 AM

01A16 Computational Studies of Self-Assembly
Alberto Striolo and Hank Ashbaugh

02E13 Molecular Simulation of Adsorption I:
Alexander V. Neimark and Francisco R. Hung

12:30 PM-3:00 PM

09A02 Atmospheric Chemistry and Physics - II
V. Faye McNeill and Charles O. Stanier

01A09 Development of Intermolecular Potential Models
Jeffrey Potoff and Ganesh Kamath

02E14 Molecular Simulation of Adsorption II:
Peter A. Monson and Alberto Striolo