Thermodynamics and Transport Properties

Session 228 - Computational Studies of Self Assembly I
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
 Atomistic and Coarse Grained Simulation of the Aggregation of Beta-Peptides in Solution
Clark A. Miller, Samuel H. Gellman, Juan J. De Pablo
 Molecular Simulation of Amphiphilic Dendrimers
Nicholas W. Suek, Monica H. Lamm
 The Pair of Potential of Mean Force for Helical Homopolypeptides
Robin Curtis, Michael W. Deem, Ramdas Pophale
 Self-Assembly of Complex Polymeric Vesicles
G.J.A. Sevink, Andrei V. Zvelindovsky
 Multi-Scale Modeling of Self-Assembly in Surfactant Systems
Gunjan Mohan, Dmitry I. Kopelevich
 A Molecular-Thermodynamic Theory of Micellization of Mixtures of pH-Sensitive and Conventional Surfactants
Arthur C. Goldsipe, Daniel Blankschtein
 Phase Diagrams of Symmetric Diblock Copolymers Confined between Two Homogeneous Surfaces
Dong Meng, Qiang Wang
 Effects of Polydispersity on the Stability of Aqueous Block Copolymer Assemblies
Vanessa Ortiz, Michael L. Klein, Dennis E. Discher
 Simulation Studies of the Stability of Phospholipid Bilayers in Clathrate Hydrates
Amadeu K. Sum

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