Numerical Methods for Molecular and Mesoscopic Systems | AIChE

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Numerical Methods for Molecular and Mesoscopic Systems

Chair(s)

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

Co-chair(s)

Dai, L. L., Arizona State University

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.

Presentations

3:15 PM
(550a) Understanding Nanoparticle Diffusion and Exploring Interfacial Nanorheology Using Molecular Dynamics Simulations
3:35 PM
(550b) Integration of Umbrella Sampling and Nonlinear Dimensionality Reduction Using Diffusion Maps: Iterative Determination of the “Right” Order Parameters
3:55 PM
(550c) Graphical Processing Unit Acceleration of Coarse Grained Molecular Dynamics Simulations of Surfactant Solutions
4:15 PM
(550d) Monte Carlo and Density Functional Study of the "Drying" Behavior of Adsorbed Yukawa Fluids On the Repulsive/Attractive Solid Surfaces
4:35 PM
(550e) Lattice Kinetic Monte Carlo Simulations of Convectively-Driven Particle Aggregation
4:55 PM
(550f) Adsorption Behavior of Homogeneous Model Proteins On Hydrophobic Surfaces From Dissipative Particle Dynamics Simulations
5:15 PM
(550g) Smooth Particle Hydrodynamics of Droplet Formation in Microscale Flows

Topics 

Adsorption
Nanotechnology

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Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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