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Computational Molecular Science and Engineering Forum

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Computational Molecular Science and Engineering Forum


Monday, October 17, 2011

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8:30 AM-11:00 AM


(#18) - 20060 Computational Catalysis I - Databases and Informatics
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

Files available
(#37) - 20009 Multiscale Modeling I
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#52) - 21005 Recent Advances In Molecular Simulation Methods I
Sponsored by: Computational Molecular Science and Engineering Forum

12:30 PM-3:00 PM

Files available
(#72) - 21009 Beyond Standard Hardware: GPUs, Cloud Computing and Crowdsourcing
Sponsored by: Computational Molecular Science and Engineering Forum


(#81) - 20061 Computational Catalysis II
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#103) - 08A17 Modeling and Simulation of Polymers I
Sponsored by: Polymers
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#104) - 21011 Multiscale Modeling II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Applied Mathematics and Numerical Analysis (10D), Catalysis and Reaction Engineering Division (20)


(#119) - 21006 Recent Advances In Molecular Simulation Methods II
Sponsored by: Computational Molecular Science and Engineering Forum

3:15 PM-5:45 PM


(#134) - 01A23 Advances In CO2 Capture
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#146) - 21010 Combining Weak and Strong Forces: Reactive Forcefields and Van Der Waals Enabled-DFT
Sponsored by: Computational Molecular Science and Engineering Forum


(#147) - 20062 Computational Catalysis III
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#183) - 21012 Recent Advances In Molecular Simulation Methods III
Sponsored by: Computational Molecular Science and Engineering Forum

6:00 PM-8:00 PM


(#190) - 21001 Poster Session: Computational Molecular Science and Engineering Forum
Sponsored by: Computational Molecular Science and Engineering Forum

Tuesday, October 18, 2011

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8:30 AM-11:00 AM

Files available
(#211) - 20063 Computational Catalysis IV
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#212) - 08E09 Computational Studies of Electronic and Photonic Materials I
Sponsored by: Electronics and Photonics
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#225) - 21003 Industrial Applications of Computational Chemistry and Molecular Simulation I
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01a)


(#258) - 23B12 Reaction Kinetics and Transport Fundamentals for Biomass Conversion
Sponsored by: Sustainable Biorefineries
Co-Sponsored by: Research and New Technology Committee (18j), Computational Molecular Science and Engineering Forum (21), Emerging Energy Processes (07B), Engineering Sciences and Fundamentals (01), Interfacial Phenomena (01C), Sustainable Engineering Forum (23), Catalysis and Reaction Engineering Division (20), International Congress on Energy: Biorefinery Technologies for Forest Based Lignocellulosic Biomass (T4B)

12:30 PM-3:00 PM


(#289) - 01A13 Development of Intermolecular Potential Models
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

Files available
(#300) - 21004 Industrial Applications of Computational Chemistry and Molecular Simulation II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01a)


(#312) - 20067 Modeling and Analysis of Chemical Reactors
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#318) - 21008 Molecular and Multiscale Modeling for Renewable Energy Systems
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Sustainable Engineering Forum (23), Catalysis and Reaction Engineering Division (20)

3:15 PM-5:45 PM

Files available
(#378) - T4C05 Hydrogen Storage Systems: Designs, Analysis, and Safety Aspects
Sponsored by: International Congress on Energy: Hydrogen Production and Storage
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), Alternative Energy and Fuel Cells (07F), Alternate Fuels and New Technology (16D), Sustainable Energy (23C), Nuclear Engineering Division (14)


(#379) - 21013 Industrial Applications of Computational Chemistry and Molecular Simulation III
Sponsored by: Computational Molecular Science and Engineering Forum

Files available
(#393) - 10D02 Multiscale Modeling: Methods and Applications
Sponsored by: Applied Mathematics and Numerical Analysis
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

Wednesday, October 19, 2011

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8:30 AM-11:00 AM

Files available
(#451) - 21002 First-Principles Simulation of Condensed Phases
Sponsored by: Computational Molecular Science and Engineering Forum

Files available
(#456) - T4C06 Hydrogen Storage Systems and Materials: Modeling, Simulation, and Optimization:
Sponsored by: International Congress on Energy: Hydrogen Production and Storage
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), Alternative Energy and Fuel Cells (07F), Alternate Fuels and New Technology (16D), Nuclear Engineering Division (14)

12:30 PM-3:00 PM


(#556) - 21007 The Industrial Fluid Properties Simulation Challenge
Sponsored by: Computational Molecular Science and Engineering Forum

3:15 PM-5:45 PM


(#563) - 14002 Advances In Numerical Simulations Bridging Chemical and Nuclear Engineering Phenomena or Processes
Sponsored by: Nuclear Engineering Division


(#580) - 21000 Computational Molecular Science and Engineering Plenary Session
Sponsored by: Computational Molecular Science and Engineering Forum

Thursday, October 20, 2011

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8:30 AM-11:00 AM


(#661) - 01A15 Molecular Modeling and Simulation of Complex Molecules I
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

3:15 PM-5:45 PM

Files available
(#758) - 01A10 Thermodynamics of Energy Systems
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)