Computational Molecular Science and Engineering Forum

- indicates session contains Extended Abstract(s) available on CD.

Areas in this Group/Topical - Click for Sponsored and Co-Sponsored Sessions

Computational Molecular Science and Engineering Forum


Monday, October 29, 2012

8:30 AM-11:00 AM


(#7) - Advances in CO2 Capture
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), High Pressure (01F), ICE2012: Fossil Fuels & CCS (T4G)

Files available
(#30) - In Honor of Keith Gubbins' 75th Birthday I: Phase Transitions
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

Files available
(#51) - Recent Advances in Molecular Simulation Methods I
Sponsored by: Computational Molecular Science and Engineering Forum

12:30 PM-3:00 PM


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

Files available
(#92) - In Honor of Keith Gubbins' 75th Birthday II: Adsorption & Interfacial Properties
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#112) - Recent Advances in Molecular Simulation Methods II
Sponsored by: Computational Molecular Science and Engineering Forum


(#118) - Thermodynamics of Energy Systems
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), ICE2012: Alternative Energy & Enabling Technologies (T4E)

3:15 PM-5:45 PM


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


(#145) - In Honor of Keith Gubbins' 75th Birthday III: Fundamentals & Model Development
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#168) - Recent Advances in Molecular Simulation III
Sponsored by: Computational Molecular Science and Engineering Forum

6:00 PM-8:00 PM

Files available
(#178) - Computational Molecular Science and Engineering Forum (CoMSEF) Poster Session
Sponsored by: Computational Molecular Science and Engineering Forum

Tuesday, October 30, 2012

8:30 AM-11:00 AM


(#201) - Computational Studies of Self-Assembly I
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#217) - In Honor of Alexis Bell's 70th Birthday I
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


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

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

12:30 PM-3:00 PM

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


(#268) - Computational Studies of Self-Assembly II
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

Files available
(#278) - In Honor of Alexis Bell's 70th Birthday II
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


(#279) - Industrial Applications of Computational Chemistry and Molecular Simulations II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01a)

3:15 PM-5:45 PM


(#330) - Computational Catalysis IV
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)


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

Wednesday, October 31, 2012

8:30 AM-11:00 AM


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


(#437) - Molecular Simulation of Adsorption I
Sponsored by: Adsorption and Ion Exchange
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

12:30 PM-3:00 PM


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

3:15 PM-5:45 PM

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


(#574) - Multiscale and Molecular Modeling for Renewable Energy Systems
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: ICE2012: Alternative Energy & Enabling Technologies (T4E)

Thursday, November 1, 2012

8:30 AM-11:00 AM

Files available
(#633) - First-Principles Simulations of Condensed Phases I
Sponsored by: Computational Molecular Science and Engineering Forum

Files available
(#648) - Modeling and Simulation of Polymers I
Sponsored by: Polymers
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

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

12:30 PM-3:00 PM


(#695) - First-Principles Simulations of Condensed Phases II
Sponsored by: Computational Molecular Science and Engineering Forum

Files available
(#710) - Molecular Simulation and Modeling of Complex Molecules II
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

3:15 PM-5:45 PM


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