2015 AIChE Annual Meeting Proceedings

Session: Plenary Session: Computational Molecular Science and Engineering Forum

Session celebrating the winner of the CoMSEF Impact Award and CoMSEF Young Investigator Award. Contributions from projects of broad interest to the CoMSEF community are encouraged.

Chair

Coray M. Colina, Pennsylvania State University

Co-Chair

David S. Sholl, Georgia Institute of Technology

Presentations

12:00 AM

(620f) Toward Structure Prediction and Design of Protein Glycosylation
Jeffrey J. Gray, Jason Labonte

12:30 PM

(553a) Small-Molecule Entry and Exit Kinetics in Proteins Computed Using Markovian Milestoning
Cameron F. Abrams

01:35 PM

(553c) Multiscale Simulations Can Reveal the Effect of Ionic Liquids on Structure and Dynamics of Biomolecules
Jim Pfaendtner

02:00 PM

(553d) Computer Simulations in the Massively Parallel Era and Beyond
Joshua A. Anderson

02:40 PM

(553e) Entropic Control over Nanoscale Colloidal Crystals
Athanassios Z. Panagiotopoulos