Tuesday, November 18, 2008: 3:15 PM-5:45 PM
Room 203-B (Pennsylvania Convention Center)

Applied Mathematics and Numerical Analysis (10d)

#367 - Numerical Methods for Molecular and Mesoscopic Systems (10D10)
This session will address advances in numerical simulation methods for molecular- and mesoscopic-scale modeling of complex systems. Numerical methods of interest span a broad spectrum and include stochastic simulation methods such as kinetic Monte Carlo and Brownian dynamics, methods for analysis of rare-event dynamics, coarse time-stepper-based methods for nonlinear analysis of dynamical systems such as coarse molecular dynamics, methods for statistical analysis of microscopic simulations, dissipative particle dynamics, lattice Boltzmann, and optimization methods.
Chair:Panagiotis Dimitrakopoulos
CoChair:Abhijit Chatterjee
CoSponsor(s):Computational Molecular Science and Engineering Forum (21)
3:15 PMLattice Boltzmann Modeling and the Behavior of Droplets
James M. Parker, Goran Jovanovic
3:35 PMDevelopment and Application of a Conservative Algorithm for An Adaptive Change of Resolution In Mixed Atomistic / Coarse-Grained Multiscale Simulations
Andreas Heyden, Jong Hyuk Park
3:55 PMNon-Linear Modeling of the Formation of Activated Carbons: Stochastic Approach
A. Argoti, L. T. Fan, W. P. Walawender, S. T. Chou
4:15 PMAssesment of Transient Responses In Muscle by Comparison of Damkohler Numbers and Consideration of Stretch Response
Richard L. Long
4:35 PMDevelopment of a Hierarchical Computational Architecture for Automated Nanomaterial Design
Jie Xiao, Yinlun Huang
4:55 PM"Quorum Quenching” on Pseudomonas Aeruginosa: Optimization of the Dose of 4-Nitropyridine-N-Oxide for the Inhibition of Biofilms Based on Stochastic Kinetics
Virginia Covo, Luis Miguel Medina, Martha Josefina Vives, Andres Fernando Gonzalez Barrios

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