2013 AIChE Annual Meeting

Session: Plenary Session: Computational Molecular Science and Engineering Forum

Session celebrating the winner of the CoMSEF Mid Career Award. Contributions from projects of broad interest to the CoMSEF community are encouraged.

Chair

Kristen Fichthorn, Pennsylvania State University

Co-Chair

David S. Sholl, Georgia Institute of Technology

Presentations

12:30 PM

(505a) Using Molecular Simulation to Understand Interfacial Phenomena
Jeffrey R. Errington

01:10 PM

(505b) Theory and Simulation Studies Relating Molecular Features to Morphology in Polymer Nanocomposites
Arthi Jayaraman

01:50 PM

(505c) Revealing Reactions in Cellulose Pyrolysis
Heather Mayes, Gregg Beckham, Linda J. Broadbelt

02:10 PM

(505d) The Search for High-Pressure Ice Phases in Nanoconfined Water Via Molecular Simulation
Cody K. Addington, Katherine A. Phillips, Keith E. Gubbins

02:30 PM

(505e) Some Surprises Arising From Atomistic Simulation of Protein Dynamics On the Millisecond Timescale: Protein Folding and Conformational Change of Kinases and GPCRs
Vijay Pande