Preliminary Program subject to change
21015 Computational Studies of Self Assembly
OverviewThis session seeks papers that explore the thermodynamics and structural 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. Simulation and computational papers are welcome.
Primary SponsorComputational Molecular Science and Engineering Forum (21)

Chair

Venkat Ganesan
Department of Chemical Engineering
University of Texas at Austin
Austin, TX 78712-1062

Phone Number: 512-471-4856
Fax Number: 512-471-7060
Email: venkat@che.utexas.edu

CoChair

Hank Ashbaugh
Department of Chemical and Biomolecular Engineering
Tulane University
6823 St. Charles Avenue
New Orleans, LA 70118
Phone Number: 504-314-2927
Email: hanka@tulane.edu
Simulation of Fluorescence Resonance Energy Transfer in Two-Phase Multi-Component Membranes
Kevin B. Towles, Drexel University, 310 S. 10th St., Philadelphia, PA 19107 and Nily Dan, Drexel University, Department of Chemical Engineering, Philadelphia, PA 19104
Dynamic Pathways for Viral Capsid Assembly
Michael F. Hagan and David Chandler, Chemistry, U.C. Berkeley, 37 Gilman Hall University of California, Berkeley, CA 94720
A Better Understanding of the Porphyrin Stacks: Experiments, Molecular Modeling and Simulation
Lu Yang, Huisheng Peng, Yunfeng Lu and Hank Ashbaugh, Department of Chemical and Biomolecular Engineering, Tulane University, 6823 St. Charles Avenue, New Orleans, LA 70118
Self-Assembly and Phase Behavior of Model Nanoparticles with Attached Chains
Jonathan R. Davis, T. Kyle Vanderlick and Athanassios Z. Panagiotopoulos, Department of Chemical Engineering, Princeton University, Princeton, NJ 08540
Understanding Precise Packings in Self-Assembled Convex Structures
Ting Chen, Zhenli Zhang and Sharon C. Glotzer, Department of Chemical Engineering, University of Michigan, Ann Arbor, MI 48109-2136
Self Assembly of Colloidal Particles of Cuboidal Geometry – a Monte Carlo Simulation Study
Bettina S. John and Fernando Escobedo, School of Chemical and Biomolecular Engineering, Cornell University, 120 Olin Hall, Ithaca, NY 14853
Monte Carlo Simulations of the Influence of Nanoscale Confinement on Surfactant Mesophases
Stephen E. Rankin1, Venkat R. Koganti2, Wei Li2, Frank Van Swol3 and Anthony P. Malanoski4, (1)Chemical and Materials Engineering, University of Kentucky, 177 Anderson Hall, Lexington, KY 40506, (2)University of Kentucky, 177 F Paul Anderson tower, Lexington, KY 40506-0046, (3)Department of Chemical and Nuclear Engineering, University of New Mexico, Advanced Materials Lab, 1001 University Blvd. SE, Albuquerque, NM 87106, (4)Chemical and Nuclear Engineering, University of New Mexico, Advanced Materials Laboratory, 1001 University Blvd SE, Albuquerque, NM 87106
Self-Assembly of Polymer-Tethered Nanorods
Mark A. Horsch1, Zhenli Zhang2 and Sharon C. Glotzer2, (1)University of Michigan, Department of Chemical Engineering, 2300 Hayward Street, Ann Arbor, MI 48109-2136, (2)Chemical Engineering, University of Michigan, Department of Chemical Engineering, 2300 Hayward Street, Ann Arbor, MI 48109-2136
Self Assembly of 1,4-Benzenedithiolate-Tetrahydrofuran Mixtures on Gold Surface: a Monte Carlo Simulation Study
Xiongce Zhao, Nanomaterials Theory Institute, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, Yongsheng Leng, Vanderbilt University, Department of Chemical Engineering, Nashville, TN 37235-1604 and Peter T. Cummings, Vanderbilt University, Department of Chemical Engineering, VU Station B 35160, Nashville, TN 37235-1604

Computational Molecular Science and Engineering Forum