2020 Virtual AIChE Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena

Chair

Co-Chairs

Vance Jaeger, University of Louisville
Mona Minkara, Northeastern University

Presentations

08:00 AM

(220a) Monte Carlo Simulations Exploring Adsorption at Liquid/Vapor, Liquid/Liquid, and Solid/Liquid Interfaces
Joern Siepmann

08:15 AM

(220b) Minkowski Functionals for Phase Behavior Under Confinement
Arnout Boelens, Hamdi Tchelepi

08:30 AM

(220c) Understanding Amorphous Silica Coatings on the Platinum Surface with First Principles Calculations
Jianzhou Qu, Alexander Urban

08:45 AM

(220d) Size-Selective Dynamics of Large Hetero-Epitaxial Islands on FCC(001) Surfaces
Han Le, Logan Brunner, Obioma Uche

09:00 AM

(220e) Investigating the Tribological Properties of Monolayer Films through High-Throughput Screening and Machine Learning
Co D. Quach, Justin Gilmer, Chris Iacovella, Peter Cummings, Clare McCabe, Savannah Dubose

09:15 AM

(220f) Computational Investigations of the Effect of Electrostatic Environment on Silica Self-Assembly
Jim Pfaendtner, Stephanie Hare

09:30 AM

(220g) Ultrafast Melting at Metal-Semiconductor Interfaces: A Molecular Dynamics Study
Ashwin Ravichandran, Mohit Mehta, John W. Lawson

09:45 AM

(220h) Can We Define a Unique Microscopic Pressure in Inhomogeneous Fluids?
Kaihang Shi, Erik Santiso, Keith E. Gubbins

10:00 AM

(220i) Computational Design of Stable Hybrid Perovskite Systems: From Mixed Cations to Surface Passivation and Elastic Properties
Andrew Rappe, Arvin Kakekhani, Y. L. Lynn Loo, Marcos A. Reyes-Martinez