Session: Molecular and Mesoscopic Systems: Methods and Applications (2012 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

Chair:

Roger P. Pawlowski
Senior Member of Technical Staff
Sandia National Laboratories
Computational Sciences
PO Box 5800-0316
Albuquerque, NM 87114
Email: rppawlo@sandia.gov

Co-Chair:

Roman S. Voronov
Postdoctorate Researcher
University of Pennsylvania
Chemical and Biomolecular Engineering
3340 Smith Walk
Philadelphia, PA 19104
Phone Number: 405-796-4087
Email: rvoronov@seas.upenn.edu

Papers:

649a

Microscopic Modeling of a Two-Species Thin Film Deposition Process Arising in Transparent Conducting Oxide Layer Manufacturing
Jianqiao Huang, University of California, Los Angeles; Gerassimos Orkoulas, University of California, Los Angeles; Panagiotis D. Christofides, University of California, Los Angeles

649b

Current-Driven Morphological Evolution of Monolayer-Thick Epitaxial Islands On Elastic Substrates
Dwaipayan Dasgupta, University of Massachusetts Amherst; Georgios I. Sfyris, University of Massachusetts Amherst; Dimitrios Maroudas, University of Massachusetts Amherst

649c

Physiochemical Properties of Functional Polymer / Solid Carbon Surface Composites Via Molecular Simulation
Pil Seung Chung, Carnegie Mellon University; Robert Smith, Carnegie Mellon University; Sesha Hari Vemuri, Carnegie Mellon University; Lorenz T. Biegler, Carnegie Mellon University; Myung S. Jhon, Carnegie Mellon University

649d

Integration of Polymer Electrolyte Membrane Fuel Cell Subcomponent Models Using Reduced Order Methodology
Robert L. Smith, Carnegie Mellon University; Parag Jain, UOP LLC - A Honeywell Company; Lorenz T. Biegler, Carnegie Mellon University; Myung S. Jhon, Carnegie Mellon University

649e

Modeling Densities and Equilibria of Ice and Gas Hydrate Phases
Angelo Lucia, University of Rhode Island; Heath Henley, University of RHode Island; Edward Thomas, University of Rhode Island

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

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