Thermodynamics and Transport Properties

Session 272 - Computational Studies of Self Assembly II
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:Jan V. Sengers
CoChair:Venkat Ganesan
CoSponsor(s):Computational Molecular Science and Engineering Forum
 Monte Carlo Simulations of Self-Assembly for Amphiphilic Nanoparticles
Jonathan R. Davis, T. Kyle Vanderlick, Athanassios Z. Panagiotopoulos
 Icosahedral Packing of Polymer-Tethered Nanospheres and Stabilization of the Gyroid Phase
Christopher R. Iacovella, Aaron S. Keys, Mark A. Horsch, Sharon C. Glotzer
 Searching for Ordered Dense Packings of Particle Systems
M. Navarro, P. A. Monson
 A Monte Carlo Analysis of Crystallization Free Energy Barriers in Colloidal Systems with DNA-Mediated Interactions
Raynaldo Scarlett, John C. Crocker, Talid R. Sinno
 Self Assembly of Nanoparticle-Polymer-Nanoparticle Triblocks
Bettina S. John, Fernando A. Escobedo
 Geometric Model of Depletion Forces in Hard-Sphere Colloidal Dispersions Exposed to Various Surfaces
Daniel W. Siderius, David S. Corti
 Cosmomic: Extending Cosmo-Rs to Self-Assembled Structures
Andreas Klamt
 Self-Assembly in Ternary Systems Containing Symmetric Amphiphilic Chains and Hybrid Organic-Inorganic Precursors
Alessandro Patti, Allan D. Mackie, Flor R. Siperstein
 Computational Design of a Single-Chain Four-Helix Bundle Protein with a Non-Biological Ru(II)Polypyridyl-(Porphinato)Zn(II) Cofactor
Andreas Lehmann, H. Christopher Fry, Donald E. Engel, Michael J. Therien, William F. DeGrado, Jeffery G. Saven

See more of Engineering Sciences and Fundamentals