Session: Computational Studies of Self-Assembly I (2012 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:

Roland Faller
Professor
UC Davis
Chemical Engineering & Materials Science
One Shields Ave
Davis, CA 95616
Phone Number: 5307525839
Fax Number: 5307521031
Email: rfaller@ucdavis.edu

Co-chairs:

Monica H. Lamm
Iowa State University
Department of Chemical and Biological Engineering
1014 Sweeney Hall
Ames, IA 50011
Phone Number: 515-294-6533
Email: mhlamm@iastate.edu

Alberto Striolo
The University of Oklahoma
School of Chemical Biological and Materials Engineering
100 East Boyd St
Norman, OK 73019
Phone Number: 405-325-5716
Email: astriolo@ou.edu

Sandeep A. Patel
Research Associate
The Scripps Research Institute
Molecular Biology
10550 North Torrey Pines Road
La Jolla, CA 92037
Email: sandeep@scripps.edu

Papers:

201a

Enhanced Sampling of Peptide Adsorption and 2D Self-Assembly with Parallel Tempering Metadynamics [Invited Talk]
Jim Pfaendtner, University of Washington; Michael Deighan, University of Washington

201b

Lipid Self Assembly by Statistical Temperature Monte Carlo and Molecular Dynamics
Lili Gai, Vanderbilt University; Katie A. Maerzke, Vanderbilt University; Christopher R. Iacovella, Vanderbilt University; Clare McCabe, Vanderbilt University; Peter T. Cummings, Oak Ridge National Laboratory

201c

Programmable Self-Assembly of Nanoparticle Clusters Using DNA-Mediated Interactions
Jonathan D. Halverson, Brookhaven National Laboratory; Alexei V. Tkachenko, Brookhaven National Laboratory

201d

Simulation of Amyloid Beta in the Presence of Aggregation Inhibitors
David C. Latshaw II, North Carolina State University; Carol K. Hall, North Carolina State University

201e

Nanocubes and Nucleosomes: One Story of Assembly and Another of Disassembly [Invited]
Gaurav Arya, University of California, San Diego; Irina V. Dobrovolskaia, University of California, San Diego; Bo Gao, University of California, San Diego; Andrea Tao, University of California, San Diego

201f

Phase Behavior of Thermodynamically Small Assemblies of Colloidal Nanoparticles
Ray M. Sehgal, University of Massachusetts Amherst; Daniel J. Beltran-Villegas, Johns Hopkins University; Michael A. Bevan, Johns Hopkins University; Dimitrios Maroudas, University of Massachusetts Amherst; David Ford, University of Massachusetts Amherst

201g

Disentangle Model Differences and Fluctuation Effects in DPD Simulations of Diblock Copolymers
Qiang (David) Wang, Colorado State University; Paramvir Sandhu, Colorado State University; Delian Yang, Colorado State University

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

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