746 Recent Advances in Molecular Simulation Methods II

Thursday, November 17, 2016: 3:15 PM - 5:45 PM
Yosemite A (Hilton San Francisco Union Square)
Description:
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.

Sponsor:
Computational Molecular Science and Engineering Forum

Chair:
Vanessa Ortiz
Email: vortiz@columbia.edu

Co-chairs:
Erik E. Santiso
Email: eesantis@ncsu.edu

Ahmed E. Ismail
Email: ahmed.ismail@mail.wvu.edu

John A. Keith
Email: jakeith@pitt.edu


3:30 PM
(746b) Continuous Fractional Component Monte Carlo in the Gibbs Ensemble
Ali Poursaeidesfahani, Ariana Torres-Knoop, David Dubbeldam and Thijs Vlugt

4:15 PM
(746e) Solvent Activity in Electrolyte Solutions By Molecular Simulation of the Osmotic Pressure
Maximilian Kohns, Steffen Reiser, Martin Horsch and Hans Hasse

4:30 PM

4:45 PM
(746g) Protracted Colored Noise Dynamics in Molecular Dynamics Simulations of Block Copolymers
Benjamin Nation, Andrew J. Peters, Daniel Nicoloso, Peter Ludovice and Clifford L. Henderson