710 Molecular Simulation and Modeling of Complex Molecules II

Thursday, November 1, 2012: 12:30 PM
411 (Convention Center )
We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

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

Ateeque Malani
Email: malani@mit.edu

Neeraj Rai
Email: nrai@nd.edu

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

12:30 PM
(710a) Understanding the Mechanisms of Cellulose Dissolution in Ionic Liquids
Brooks D. Rabideau, Animesh Agarwal and Ahmed E. Ismail
File available
2:10 PM
(710f) Structure of Rigid Hard-Ring Fluid
Mariam Nouri and Marc Robert
See more of this Group/Topical: Engineering Sciences and Fundamentals