201 Computational Studies of Self-Assembly I

Tuesday, October 30, 2012: 8:30 AM
411 (Convention Center )
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
Email: rfaller@ucdavis.edu

Co-chairs:
Monica H. Lamm
Email: mhlamm@iastate.edu

Alberto Striolo
Email: astriolo@ou.edu

Sandeep A. Patel
Email: sandeep@scripps.edu


8:30 AM
(201a) Enhanced Sampling of Peptide Adsorption and 2D Self-Assembly with Parallel Tempering Metadynamics [Invited Talk]
Jim Pfaendtner and Michael Deighan

9:00 AM
(201b) Lipid Self Assembly by Statistical Temperature Monte Carlo and Molecular Dynamics
Lili Gai, Katie A. Maerzke, Christopher R. Iacovella, Clare McCabe and Peter T. Cummings

9:18 AM
(201c) Programmable Self-Assembly of Nanoparticle Clusters Using DNA-Mediated Interactions
Jonathan D. Halverson and Alexei V. Tkachenko

9:36 AM
(201d) Simulation of Amyloid Beta in the Presence of Aggregation Inhibitors
David C. Latshaw II and Carol K. Hall

9:54 AM
(201e) Nanocubes and Nucleosomes: One Story of Assembly and Another of Disassembly [Invited]
Gaurav Arya, Irina V. Dobrovolskaia, Bo Gao and Andrea Tao

10:24 AM
(201f) Phase Behavior of Thermodynamically Small Assemblies of Colloidal Nanoparticles
Ray M. Sehgal, Daniel J. Beltran-Villegas, Michael A. Bevan, Dimitrios Maroudas and David Ford

10:42 AM
(201g) Disentangle Model Differences and Fluctuation Effects in DPD Simulations of Diblock Copolymers
Qiang (David) Wang, Paramvir Sandhu and Delian Yang
See more of this Group/Topical: Engineering Sciences and Fundamentals
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