Industrial Applications of Computational Chemistry and Molecular Simulation III | AIChE

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Industrial Applications of Computational Chemistry and Molecular Simulation III

Contributions describing industrial applications of computational chemistry and/or molecular simulations. Contirbutions based on quantum chemistry calculations are particularly appropriate for this session.

Presentations

3:15 PM
(348a) Applications of High Throughput Materials Simulations Methods for Developing Materials for Alternative Energy Applications
3:45 PM
(348b) A Reassessment of the Precision and Accuracy of Atomistic Calculations of Elastic Constants of Amorphous Engineering Polymer Glasses
4:05 PM
(348c) Understanding and Predicting Multimodal Ligand-Protein Interactions Using Molecular Simulations
4:25 PM
(348d) Coarse-Graining Protocol for Mesoscale Simulations of Nanostructured Polymers
4:45 PM
(348e) Ionic Effects On the Stability and Morphology of AOT-WATER-Isooctane Reverse Micelles: Molecular Dynamics and Dynamic LIGHT Scattering Perspective
5:05 PM
(348f) The Investigation of Green Tea Catechin Binding to Keratins by Molecular Dynamics and Experimental Validation
5:25 PM
(348g) Rational Platform for Biosurfactants Design Based On Molecular Dynamics and Experimental Validation Using Escherichia Coli Outer Membrane Protein A

Topics 

Thermodynamics

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Pricing

Individuals

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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