Session: Computational Studies of Self-Assembly (2010 Annual Meeting)

Description:

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.

Sponsor:

Thermodynamics and Transport Properties

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Alberto Striolo
The University of Oklahoma
School of Chemical Biological and Materials Engineering
Norman, OK 73019
Phone Number: 4053255716
Fax Number: 4053255813
Email: astriolo@ou.edu

Co-Chair:

Jeffery J. Potoff
Wayne State University
Chemical Enginering
5050 Anthony-Wayne Dr.
Detroit, MI 48202
Phone Number: 313 577 9357
Email: jpotoff@chem1.eng.wayne.edu

Papers:

587a

Probing the Mechanism of Silica Polymerization at Ambient Temperatures Using Molecular Simulations
Ateeque Malani, University of Massachusetts; Scott M. Auerbach, University of Massachusetts; Peter A. Monson, Univ. of Massachusetts

587b

A Computational Study of the Formation of Realistic Nanoelectronic Junctions
William R. French, Vanderbilt University; Christopher R. Iacovella, Vanderbilt University; Peter T. Cummings, Vanderbilt University

587c

Equilibrium Micellization of An Atomistic Model for Sodium Alkyl Sulfates
Samantha A. Sanders, Princeton University; Maria Sammalkorpi, Yale University; Athanassios Z. Panagiotopoulos, Princeton University

587d

Cluster Dynamics in the Presence of Surfaces
Bryce D. Sturtevant, Purdue University; David S. Corti, Purdue University

587e

Design Rules for Ordered SAMs On Patchy Nanoparticles
Aaron T. Santos, University of Michigan; Chetana Singh, University of Michigan; Sharon C. Glotzer, University of Michigan

587f

Dynamics of Micelle and Liquid Crystal Dissolution
Flor R. Siperstein, University of Manchester; Thomas Rodgers, University of Manchester

587g

Evaluating Mechanical Properties of Bilayer Membranes Using Dissipative Particle Dynamics
Foram M. Thakkar, Indian Institute of Science; Prabal K. Maiti, Indian Institute of Science; V. Kumaran, Indian Institute of Science; K. G. Ayappa, Indian Institute of Science

See more of this Group/Topical: Engineering Sciences and Fundamentals

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