2010 Annual Meeting

Session: Numerical Methods for Molecular and Mesoscopic Systems

Advances in the modeling and simulation of molecular and mesoscopic level systems are invited. Interfaces, molecular interactions, coarse graining, mesoscopic simulations and modeling, as well as multiscale approaches are among the areas that are covered by this session.

Chair

Lee, L. L., The California State University Pomona

Co-Chair

Dai, L. L., Arizona State University

Presentations

03:15 PM

(550a) Understanding Nanoparticle Diffusion and Exploring Interfacial Nanorheology Using Molecular Dynamics Simulations
Song, Y., Dai, L. L., Luo, M.

03:35 PM

(550b) Integration of Umbrella Sampling and Nonlinear Dimensionality Reduction Using Diffusion Maps: Iterative Determination of the “Right” Order Parameters
Ferguson, A. L., Bravewolf, L. V., Panagiotopoulos, A. Z., Debenedetti, P., Kevrekidis, I. G.

03:55 PM

(550c) Graphical Processing Unit Acceleration of Coarse Grained Molecular Dynamics Simulations of Surfactant Solutions
Levine, B. G., LeBard, D. N., DeVane, R., Kohlmeyer, A., Klein, M. L., Shinoda, W.

04:15 PM

(550d) Monte Carlo and Density Functional Study of the "Drying" Behavior of Adsorbed Yukawa Fluids On the Repulsive/Attractive Solid Surfaces
Lee, L. L., Pellicane, G., Gering, K. L.

04:35 PM

(550e) Lattice Kinetic Monte Carlo Simulations of Convectively-Driven Particle Aggregation
Flamm, M. H., Sinno, T. R., Diamond, S. L.

04:55 PM

(550f) Adsorption Behavior of Homogeneous Model Proteins On Hydrophobic Surfaces From Dissipative Particle Dynamics Simulations
Patterson, K., Colina, C. M., Lisal, M.

05:15 PM

(550g) Smooth Particle Hydrodynamics of Droplet Formation in Microscale Flows
Squires, K. D., Vance, M.