Multiscale and Molecular Modeling for Renewable Energy Systems Conference: AIChE Annual MeetingYear: 2014Proceeding: 2014 AIChE Annual MeetingGroup: Computational Molecular Science and Engineering Forum Type: Oral Room: 212 Location: Hilton Atlanta Time: Thursday, November 20, 2014 - 3:15pm-5:45pm Chair(s):Palmer, J. C., Princeton University Co-chair(s):Pfaendtner, J., University of Washington Contributions discussing multiscale and molecular modeling for renewable energy systems Papers: 3:15 PM(731a) Restraint-Free Coarse-Grain Modeling of a Crystalline Cellulose Fibril Based on Force MatchingSergiy MarkutsyaAjitha DevarajanMark S. GordonTheresa L. WindusMonica H. Lamm 3:35 PM(731b) Ligand Binding Dynamics and Directionality in Cellulomonas Fimi Family 4 Carbohydrate Binding ModulesAbhishek A. KognoleChristina M. Payne 3:55 PM(731c) Understanding the Interactions of N-Methylmorpholine N-Oxide with CelluloseBrooks D. RabideauAhmed E. Ismail 4:15 PM(731d) Transport of Pyrolysis Fragments in Cellulose – a Molecular Dynamics StudyAbdul Salam MohammadJessica D. MurilloJoseph J. BiernackiScott Northrup 4:35 PM(731e) A Comparison of Coarse-Graining Approaches for Modeling Morphology in Push-Pull PolymersEric JankowskiDana Olson 4:55 PM(731f) Molecular Properties for Renewable Energy Materials from Big DataJohannes Hachmann 5:15 PM(731g) Strategies Toward Enhanced Low-Pressure Volumetric Hydrogen Storage in Nanoporous CryoadsorbentsAfsana AhmedAaron W. ThorntonKristina KonstasSridhar Kumar KannamRavichandar BabaraoB. D. ToddAnita J. HillMatthew R. Hill Topics: Thermodynamics Checkout Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings. Checkout Do you already own this? Log In for instructions on accessing this content. Pricing Individuals AIChE Members $150.00 AIChE Graduate Student Members Free AIChE Undergraduate Student Members Free Non-Members $225.00