Recent Advances in Molecular Simulation Methods I Conference: AIChE Annual MeetingYear: 2016Proceeding: 2016 AIChE Annual MeetingGroup: Computational Molecular Science and Engineering Forum Type: Oral Room: Yosemite A Location: Hilton San Francisco Union Square Time: Tuesday, November 15, 2016 - 3:15pm-5:45pm Chair(s):Ortiz, V., Columbia University Co-chair(s):Santiso, E. E., North Carolina State UniversityIsmail, A. E., West Virginia UniversityKeith, J. A., University of Pittsburgh Contributions describing recent advances in the application of molecular simulation methods to any area of application. Note: There will be a special sub-session on rare events. This sub-session will focus on novel approaches to study activated processes, for which traditional molecular simulation approaches are impractical due to a separation of time scales. Papers discussing new methods to find the mechanisms and rates of complex activated processes, as well as applications of such methods, are welcome. Papers: 3:15 PM(436a) Methods for Combining Experimental Data and Molecular Simulations into Hybrid ModelsAndrew White 3:30 PM(436b) Using Molecular Dynamics to Understand Transmission Electron MicroscopyRoland FallerNigel D. BrowningChiwoo ParkDavid WelchJames E. Evans 3:45 PM(436c) Pushing the Boundaries of Multiscale Simulation to Model Proton Transport in SERCAHeather B. MayesLaura C. WatkinsL. Michel Espinoza-FonsecaJessica M. J. SwansonGregory A. Voth 4:00 PM(436d) Modeling the Nucleation of Crystals of Ionic Liquids in the Bulk and Near Graphitic SurfacesXiaoxia HeYan ShenFrancisco R. HungErik E. Santiso 4:15 PM(436e) Improving the Efficiency of Water Adsorption Simulations in Metal-Organic FrameworksHongda ZhangRandall Snurr 4:30 PM(436f) Heterogeneous Ice Nucleation Using Forward Flux SamplingBrittany GlatzSapna Sarupria 4:45 PM(436g) Theoretical Prediction of Interpenetrating Metal-Organic FrameworksKutay Berk SezginelTianyi FengChristopher E. Wilmer 5:00 PM(436h) First Principles Screening of Transparent Conducting Oxides Using AmobtCynthia S. LoAlireza Faghaninia 5:15 PM(436i) Polymorphic Transformations at Ambient Conditions Elucidated with Molecular DynamicsEric DybeckNatalie SchieberNathan AbrahamMichael R. Shirts 5:30 PM(436j) NaCl Nucleation from Aqueous Solution By a Seeded Simulation ApproachNils ZimmermannBart VorselaarsDavid QuigleyBaron Peters Topics: Computational Molecular Engineering 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