Session: Numerical Methods for Molecular and Mesoscopic Systems (2010 Annual Meeting)

Description:

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.

Sponsor:

Applied Mathematics and Numerical Analysis

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Lloyd L. Lee
Assoc. Professor
The California State University Pomona
Department of Chemical and Materials Engineering
3801 West Temple Avenue
Pomona, CA 91768
Phone Number: 909 869 2423
Fax Number: 909 869 6920
Email: profllee@yahoo.com

Co-Chair:

Lenore L. Dai
Associate Professor and Program Chair
Arizona State University
Chemical Engineering
Tempe, AZ 85281
Phone Number: (480) 965-4112
Fax Number: (480) 965-0037
Email: lenore.dai@asu.edu

Papers:

550a

Understanding Nanoparticle Diffusion and Exploring Interfacial Nanorheology Using Molecular Dynamics Simulations
Yanmei Song, Arizona State University; Mingxiang Luo, Texas Tech University; Lenore L. Dai, Arizona State University

550b

Integration of Umbrella Sampling and Nonlinear Dimensionality Reduction Using Diffusion Maps: Iterative Determination of the “Right” Order Parameters
Andrew L. Ferguson, Princeton University; Lilia V. Bravewolf, Princeton University; Athanassios Z. Panagiotopoulos, Princeton University; Pablo G. Debenedetti, Princeton University; Ioannis G. Kevrekidis, Princeton University

550c

Graphical Processing Unit Acceleration of Coarse Grained Molecular Dynamics Simulations of Surfactant Solutions
Benjamin G. Levine, Temple University; David N. LeBard, Temple University; Russell DeVane, Temple University; Wataru Shinoda, National Institute of Advanced Industrial Science and Technology; Axel Kohlmeyer, Temple University; Michael L. Klein, Temple University

550d

Monte Carlo and Density Functional Study of the "Drying" Behavior of Adsorbed Yukawa Fluids On the Repulsive/Attractive Solid Surfaces
Lloyd L. Lee, The California State University Pomona; Giuseppe Pellicane, Università di Messina; Kevin L. Gering, Idaho National Laboratory

550e

Lattice Kinetic Monte Carlo Simulations of Convectively-Driven Particle Aggregation
Matthew H. Flamm, University of Pennsylvania; Talid Sinno, University of Pennsylvania; Scott L. Diamond, University of Pennsylvania

550f

Adsorption Behavior of Homogeneous Model Proteins On Hydrophobic Surfaces From Dissipative Particle Dynamics Simulations
Kristin Patterson, Pennsylvania State University; Martin Lisal, Academy of Sciences of the Czech Republic; Coray M. Colina, Pennsylvania State University

550g

Smooth Particle Hydrodynamics of Droplet Formation in Microscale Flows
Marion Vance, Arizona State University; Kyle D. Squires, Arizona State University

See more of this Group/Topical: Computing and Systems Technology Division

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