667 Computational Studies of Self-Assembly II

Thursday, November 7, 2013: 12:30 PM
Union Square 16 (Hilton)
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.

Thermodynamics and Transport Properties
Computational Molecular Science and Engineering Forum (21)

Manolis Doxastakis
Email: edoxastakis@uh.edu

Hank Ashbaugh
Email: hanka@tulane.edu

- indicates paper has an Extended Abstract file available on CD.

12:30 PM
(667a) Effect of Langmuir Constants On Hydrate Equilibrium Calculations
Ioannis N. Tsimpanogiannis, Ioannis G. Economou and Athanassios K. Stubos

1:04 PM
(667c) Equations of State for Hard Polyhedra
M. Eric Irrgang, Michael Engel and Sharon C. Glotzer
See more of this Group/Topical: Engineering Sciences and Fundamentals