Computational Studies of Self Assembly | AIChE

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Computational Studies of Self Assembly

Chair(s)

Ashbaugh, H., Tulane University

Co-chair(s)

Brennan, J. K., U.S. Army Research Laboratory

This session seeks papers that explore the thermodynamics, structural and dynamical properties of self-assembled systems. Subjects of interest include, but are not limited to: colloidal forces driving assembly, hierarchical organization, structural transitions, phase behavior, and multi-scale models spanning molecular to mesoscopic length and time scales for assembly. The emphasis is on simulation and computational papers, but theoretical models and complementary experimental papers are also welcome.

Presentations

12:30 PM
(408a) Alkanethiol Self-Assembled Monolayers On Metal Nanoparticles: A Molecular Dynamics Simulation Study
12:47 PM
(408d) Self-Assembly Of Peptides On Montmorillonite Nanoparticles
1:04 PM
(408e) Coarse-Graining A Realistic Molecular Model Of Linear-Dendritic Block Copolymers For The Simulation Of Self-Assembly
1:21 PM
(408f) Modeling Convective Assembly During Colloidal Crystal Growth
1:38 PM
(408g) Molecular Structure and Interactions of Cholesterol Superlattices and Random Domains in An Unsaturated Phosphatidylcholine Bilayer Membrane
1:55 PM
(408h) Molecular Dynamics Of Reverse Micelles: Simulation Time And Pre-Built Structures Considerations In The Modeling Of The Aot-Water-Isooctane System
2:12 PM
(408i) Monte Carlo Simulations Of Binary Amphiphile Mixtures

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Non-Members $225.00

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