Tuesday, 14 November 2006: 12:30 PM-3:00 PM
Union Square 3 & 4 (Hilton San Francisco)

Thermodynamics and Transport Properties (01a)

#228 - Computational Studies of Self Assembly I (01A15)
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.
Chair:Venkat Ganesan
CoChair:Jan V. Sengers
CoSponsor(s):Computational Molecular Science and Engineering Forum (21)
12:30 PM228aAtomistic and Coarse Grained Simulation of the Aggregation of Beta-Peptides in Solution
Clark A. Miller, Samuel H. Gellman, Juan J. De Pablo
12:46 PM228bMolecular Simulation of Amphiphilic Dendrimers
Nicholas W. Suek, Monica H. Lamm
1:02 PM228cThe Pair of Potential of Mean Force for Helical Homopolypeptides
Robin Curtis, Michael W. Deem, Ramdas Pophale
1:18 PM Computer Simulations of Critical Dynamics in Fluids
Jan V. Sengers, Subir K. Das, Michael E. Fisher, Juergen Horbach, Kurt Binder
1:33 PM228eMulti-Scale Modeling of Self-Assembly in Surfactant Systems
Gunjan Mohan, Dmitry I. Kopelevich
1:49 PM228fA Molecular-Thermodynamic Theory of Micellization of Mixtures of pH-Sensitive and Conventional Surfactants
Arthur C. Goldsipe, Daniel Blankschtein
2:05 PM228gPhase Diagrams of Symmetric Diblock Copolymers Confined between Two Homogeneous Surfaces
Dong Meng, Qiang Wang
2:21 PM228hEffects of Polydispersity on the Stability of Aqueous Block Copolymer Assemblies
Vanessa Ortiz, Michael L. Klein, Dennis E. Discher
2:37 PM228iSimulation Studies of the Stability of Phospholipid Bilayers in Clathrate Hydrates
Amadeu K. Sum

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