2016 AIChE Annual Meeting

Session: Recent Advances in Molecular Simulation Methods I

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.

Chair

Vanessa Ortiz, Columbia University

Co-Chairs

Erik Santiso, NC State University
Ahmed E. Ismail, West Virginia University
John Keith, University of Pittsburgh

Presentations

03:15 PM

03:30 PM

Roland Faller, Nigel D. Browning, Chiwoo Park, David Welch, James E. Evans

03:45 PM

Heather B. Mayes, Laura C. Watkins, L. Michel Espinoza-Fonseca, Jessica M. J. Swanson, Gregory A. Voth

04:00 PM

04:15 PM

04:30 PM

04:45 PM

Kutay Berk Sezginel, Tianyi Feng, Christopher E. Wilmer

05:00 PM

05:15 PM

Eric Dybeck, Natalie Schieber, Nathan Abraham, Michael R. Shirts

05:30 PM

Nils Zimmermann, Bart Vorselaars, David Quigley, Baron Peters