2012 AIChE Annual Meeting

Session: Industrial Applications of Computational Chemistry and Molecular Simulation III

Presentations

03:15 PM

(348a) Applications of High Throughput Materials Simulations Methods for Developing Materials for Alternative Energy Applications
Reynolds, N., Doyle, M., Fitzgerald, G.

03:45 PM

(348b) A Reassessment of the Precision and Accuracy of Atomistic Calculations of Elastic Constants of Amorphous Engineering Polymer Glasses

04:05 PM

(348c) Understanding and Predicting Multimodal Ligand-Protein Interactions Using Molecular Simulations
Holstein, M. A.

04:25 PM

(348d) Coarse-Graining Protocol for Mesoscale Simulations of Nanostructured Polymers
Vishnyakov, A.

04:45 PM

(348e) Ionic Effects On the Stability and Morphology of AOT-WATER-Isooctane Reverse Micelles: Molecular Dynamics and Dynamic LIGHT Scattering Perspective
Vasquez, V. R.

05:05 PM

(348f) The Investigation of Green Tea Catechin Binding to Keratins by Molecular Dynamics and Experimental Validation

05:25 PM

(348g) Rational Platform for Biosurfactants Design Based On Molecular Dynamics and Experimental Validation Using Escherichia Coli Outer Membrane Protein A
Macías, A. P., Garces Ferreira, N., Carrero Pinto, D. M., Castro Barrera, H. E., González Barrios, A. F., Álvarez, O. A.