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.

Papers:
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 Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00