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)
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.

Computational Molecular Science and Engineering Forum

Vanessa Ortiz
Email: vortiz@columbia.edu

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