Skip to main content
Toggle main menu visibility
Menu
Join
Sign In
Communities
Membership
Events
Publications
Learning & Careers
AIChE Home
About
Contact AIChE
Leadership
Events
Communities
Membership
Learning & Careers
Publications
Careers at AIChE
Equity, Diversity, Inclusion
Giving
Students
Young Professionals
Operating councils
Local Sections
Committees
Awards
Communities
Membership
Events
Publications
Learning & Careers
Toggle site search visibility
Sign In
Join
Breadcrumb
Home
Publications
Proceedings
2011 Annual Meeting
Computational Molecular Science and Engineering Forum
Molecular and Multiscale Modeling for Renewable Energy Systems
2011 Annual Meeting
Session: Molecular and Multiscale Modeling for Renewable Energy Systems
Chair
Jim Pfaendtner
, University of Washington
Presentations
12:30 PM
(318a) Accurate Treatment of Electrostatics During Molecular Simulations In Nanoporous Crystals without Assigning Point Charges to Framework Atoms: Application In Material Selection for Flue Gas Separation
Taku Watanabe, David S. Sholl
12:50 PM
(318b) Molecular Dynamics Studies of Diffusion and Solvation of Rubidium Bromide Solutions In Nanoconfinement
Keith E. Gubbins
01:10 PM
(318c) An Electronic Structure Based Understanding of Amine-Carbon Dioxide Interactions for CO2 Capture
Anita S. Lee, John R. Kitchin
01:30 PM
(318d) Engineering Protein-Carbohydrate Binding Affinity Via Glycosylation: A General Strategy to Improve Cellulase Performance
Courtney B. Taylor, Clare McCabe, Lintao Bu, Michael F. Crowley
01:50 PM
(318e) Multi-Scale Models for Poly (1, 3-cyclohexadiene) (PCHD) Polymer
Suxiang Deng, Jimmy W. Mays, David J. Keffer
02:10 PM
(318f) Band Gap Engineering In Donor-Acceptor Conjugated Copolymers
Ying-Chieh Hung
02:30 PM
(318g) Structure and Diffusion of Furans and Other Cellulose-Derived Compounds In Solvents Via MD Simulation
Brooks D. Rabideau, Ahmed E. Ismail
