112 Recent Advances in Molecular Simulation Methods II

Monday, October 29, 2012: 12:30 PM
415 (Convention Center )
Contributions describing recent advances in the application of molecular simulation methods to any area of application. Contributions focusing on transport properties are particularly appropriate for this session.

Computational Molecular Science and Engineering Forum

Francisco R. Hung
Email: frhung@gmail.com

Ahmed E. Ismail
Email: aei@alum.mit.edu

12:30 PM
(112a) Monte Carlo On Gpus; A Proof of Detailed Balance
Joshua A. Anderson, Eric Jankowski, Thomas Grubb, Michael Engel and Sharon C. Glotzer

1:10 PM

1:30 PM
(112d) Development and Application of a Heuristic to Study Heterogeneous Nucleation Mechanisms
Geoffrey P. F. Wood, Keith Chadwick, Erik E. Santiso and Bernhardt L. Trout

1:50 PM
(112e) Computation of Entropic Effects in Crystal Structures
Manolis Vasileiadis, Panagiotis (Panos) G. Karamertzanis, Claire S. Adjiman and Constantinos C. Pantelides

2:30 PM