2011 Annual Meeting

Session: Recent Advances In Molecular Simulation Methods III

Chair

Ismail, A. E., Sandia National Laboratories

Presentations

03:15 PM

(183a) A New Theoretical Method for Rapid Prediction of Solvation Free Energy In Water
Wu, J., Zhao, S.

03:35 PM

(183b) Solvent Dynamics In Ion Pair Dissociation
Peters, B.

03:55 PM

(183c) Reducing the Statistical Error of Free Energy Calculations Through Functional Optimization of Pair Potential Pathways
Pham, T. T., Shirts, M. R.

04:15 PM

(183d) Mechanisms and Free Energy Barriers for the Nucleation of Molecular Crystals From the Melt and From Solution
Santiso, E. E., Trout, B. L., Shah, M. R.

04:45 PM

(183e) Linking the COSMO-RS Model to Molecular Dynamics Simulations
Ismail, A. E.

05:05 PM

Field Theoretic Simulations of the Interfacial Properties of Complex Coacervates

05:25 PM

(183g) The Stochastic Simulation of Isocyanate Amine Polymerization
Abdourazak, A. H., Vedage, G. A.