2011 Annual Meeting

Session: Recent Advances In Molecular Simulation Methods I

Chair

Abrams, C. F., Drexel University

Co-Chair

Ismail, A. E., Sandia National Laboratories

Presentations

08:30 AM

(52a) A Fast Hybrid Molecular Dynamics Method for Estimating Gas Diffusion In Polymeric Glasses

08:50 AM

(52b) Solvent Effect On the Ultrafast Spectra In Water Solution: Explicit and Implicit Solvation
Li, Y., Wu, H., Zhu, Q., Fu, K., Li, X.

09:10 AM

(52c) Precise Simulation of Freezing Transitions
Amlani, A. M.

09:30 AM

(52d) Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics Simulation
Paluch, A. S., Mobley, D. L.

10:00 AM

(52e) Efficient, Precise and Accurate Methods of Calculating Solid-Phase Free Energies by Molecular Simulation
Tan, T. B., Kofke, D.

10:20 AM

(52f) Dissipative Particle Dynamics Simulations Involving Chemical Reactions
Brennan, J. K., Lisal, M., Moore, J. D.

10:40 AM

(52g) Rigid Body Constraints In Molecular Dynamics Simulations Optimized for Graphics Processing Units
Nguyen, T. D.