2021 Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena I

Chair

Simon, C., Oregon State University

Co-Chairs

Shi, K., Northwestern University
Uche, O., Rochester Institute of Technology

Presentations

12:30 PM

(594a) The Influence of Coverage on Entropy: Changes in Vibrational Frequencies of CO on Pt (111)

01:00 PM

(594c) Dynamical Evolution of Atomically Dispersed Catalysts: Ab Initio Molecular Dynamics Analysis of Thermal and Adsorbate-Induced Metal Atom Migration

01:15 PM

(594d) Uncovering a Universal Molecular Mechanism of Salt Ion Adsorption at Solid/Water Interfaces

01:30 PM

(594g) Predicting the Equilibrium Adsorption Morphologies of Surfactant Molecules at Metal-Water Interfaces Via Advanced Molecular Dynamics Simulations

01:45 PM

(594i) Understanding the Role of Charge Distribution and Pore Size for Water Vapor Adsorption in Idealized Nanoporous Materials

02:00 PM

(594j) Phase Behavior of Confined Multiple Sites Associating Lj Fluids in Functionalized Slit Pore: A Monte Carlo Study