Computational Modeling of Surfaces and Surface Phenomena | AIChE

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Computational Modeling of Surfaces and Surface Phenomena

Chair(s)

Hwang, G. S., The University of Texas at Austin

This session will focus on the use of computational chemistry to model surface phenomena.

Presentations

12:30 PM
(383a) Chiral Adsorption on Cu Surfaces
12:55 PM
(383b) Development of the Oxygen Reduction Reaction Mechanism on Pt(111) Using Dft
1:15 PM
(383c) The Growth of Thin Metal Films on Polar Metal Oxides Surfaces: Insights from First-Principles Calculations
1:35 PM
(383d) Strong Repulsive Forces between Protein and Phosphocholine Self-Assembled Monolayers - a Molecular Simulation Study
1:55 PM
(383e) Effects of the Combined Action of Electric Fields and Mechanical Stresses on the Morphological Stability of Solid Surfaces
2:15 PM
(383f) Ab Initio Phase Diagrams for Water Adsorbed on Monoclinic Hfo2
2:40 PM
(383g) Molecular Simulation Study of Nanoscale Friction between Phosphocholine Self-Assembled Monolayer Surfaces Immersed in Ionic Solution

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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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