Session 367 - Numerical Methods for Molecular and Mesoscopic Systems


Applied Mathematics and Numerical Analysis
Session 367 - Numerical Methods for Molecular and Mesoscopic Systems
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
	367a	Lattice Boltzmann Modeling and the Behavior of Droplets James M. Parker, Goran Jovanovic
	367b	Development and Application of a Conservative Algorithm for An Adaptive Change of Resolution In Mixed Atomistic / Coarse-Grained Multiscale Simulations Andreas Heyden, Jong Hyuk Park
	367c	Non-Linear Modeling of the Formation of Activated Carbons: Stochastic Approach A. Argoti, L. T. Fan, W. P. Walawender, S. T. Chou
	367d	Assesment of Transient Responses In Muscle by Comparison of Damkohler Numbers and Consideration of Stretch Response Richard L. Long
	367e	Development of a Hierarchical Computational Architecture for Automated Nanomaterial Design Jie Xiao, Yinlun Huang
	367f	"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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Applied Mathematics and Numerical Analysis