Computational Molecular Science and Engineering Forum

The below sessions are either SPONSORED or CO-SPONSORED by this Area.
- indicates session contains Extended Abstract(s) available on CD.

Sunday, November 16, 2014

3:30 PM-6:00 PM

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

Monday, November 17, 2014

8:30 AM-11:00 AM


(#63) - 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)

(#64) - In Honor of Peter Cummings I
Sponsored by: Thermodynamics and Transport Properties
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

12:30 PM-3:00 PM

Files available
(#120) - Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), Low Pressure (01G)

(#134) - 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)
Files available
(#137) - In Honor of Peter Cummings II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01A)

3:15 PM-5:45 PM


(#175) - Computational Catalysis II: Screening and Design
Sponsored by: Catalysis and Reaction Engineering Division
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21), Low Pressure (01G)

(#193) - In Honor of Peter Cummings III
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01A)

6:00 PM-8:00 PM

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

Tuesday, November 18, 2014

8:30 AM-11:00 AM

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

12:30 PM-3:00 PM


(#349) - Software Engineering in and for the Molecular Sciences I
Sponsored by: Computational Molecular Science and Engineering Forum

3:15 PM-5:45 PM


(#406) - Software Engineering in and for the Molecular Sciences II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01A)

Wednesday, November 19, 2014

8:30 AM-11:00 AM

Files available
(#469) - Recent Advances in Molecular Simulation Methods II
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01A)

12:30 PM-3:00 PM


(#509) - Molecular and Mesoscopic Systems: Methods and Applications
Sponsored by: Applied Mathematics and Numerical Analysis
Co-Sponsored by: Computational Molecular Science and Engineering Forum (21)

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

3:15 PM-5:45 PM

Files available
(#590) - Recent Advances in Molecular Simulation Methods III
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Thermodynamics and Transport Properties (01A)

Thursday, November 20, 2014

8:30 AM-11:00 AM


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

12:30 PM-3:00 PM


(#685) - First-Prin​ciples Simulation​s of Condensed Phases
Sponsored by: Computational Molecular Science and Engineering Forum

3:15 PM-5:45 PM


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

(#731) - Multiscale and Molecular Modeling for Renewable Energy Systems
Sponsored by: Computational Molecular Science and Engineering Forum
Co-Sponsored by: Global Nuclear and Solar Energy for the 21st Century (T4B), Alternative Energy & Enabling Technologies (T4E)