2020 Virtual AIChE Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena

Chair

Hatch, H., NIST

Co-Chairs

Jaeger, V., University of Louisville
Minkara, M., Northeastern University

Presentations

08:00 AM

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

08:15 AM

(220b) Minkowski Functionals for Phase Behavior Under Confinement
Boelens, A., Tchelepi, H.

08:30 AM

(220c) Understanding Amorphous Silica Coatings on the Platinum Surface with First Principles Calculations
Qu, J., Urban, A.

08:45 AM

(220d) Size-Selective Dynamics of Large Hetero-Epitaxial Islands on FCC(001) Surfaces
Le, H., Brunner, L., Uche, O.

09:00 AM

(220e) Investigating the Tribological Properties of Monolayer Films through High-Throughput Screening and Machine Learning
Quach, C. D., Gilmer, J., Iacovella, C., Cummings, P., McCabe, C., Dubose, S.

09:15 AM

(220f) Computational Investigations of the Effect of Electrostatic Environment on Silica Self-Assembly
Pfaendtner, J., Hare, S.

09:30 AM

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

09:45 AM

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

10:00 AM

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