Molecular Simulation and Modeling of Complex Molecules II | AIChE

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Molecular Simulation and Modeling of Complex Molecules II

Chair(s)

Malani, A., Massachusetts Institute of Technology

Co-chair(s)

Rai, N., University of Notre Dame

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.

Presentations

12:30 PM
(710a) Understanding the Mechanisms of Cellulose Dissolution in Ionic Liquids
12:50 PM
(710b) Modeling Biomolecular Structure and Excitation Energy Transfer in Photosynthetic Pigment-Protein Complexes
1:10 PM
(710c) Polyelectrolyte Interactions At a Conducting Interface: A Simulation Study
1:30 PM
(710d) Molecular Dynamics Simulations of Thermoresponsive Poly (N-isopropylacrylamide) and Its Copolymer
1:50 PM
(710e) Molecular Simulation of Hydration of Zwitterion
2:10 PM
(710f) Structure of Rigid Hard-Ring Fluid
2:30 PM
(710g) Effects of Asphalt Compositions On Nanoscale Properties by Molecular Simulation
2:50 PM
(710h) Toward a Molecular Model of SiC Nanoporous Membrane: Application of Reactive Molecular Dynamics Simulation to the Study of the Pyrolysis of Hpcs Polymeric Precursor

Topics 

Nanotechnology
Thermodynamics
Physical Properties

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AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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