112 Recent Advances in Molecular Simulation Methods II

Monday, October 29, 2012: 12:30 PM
415 (Convention Center )
Description:
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.

Sponsor:
Computational Molecular Science and Engineering Forum

Chair:
Francisco R. Hung
Email: frhung@gmail.com

Co-Chair:
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