710 Molecular Simulation and Modeling of Complex Molecules II

Thursday, November 1, 2012: 12:30 PM
411 (Convention Center )
Description:
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.

Sponsor:
Thermodynamics and Transport Properties
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Ateeque Malani
Email: malani@mit.edu

Co-Chair:
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