2022 Annual Meeting

Session: Applications of Molecular Modeling to Study Interfacial Phenomena I

Chair

Minkara, M., Northeastern University

Co-Chairs

de Meyer, F., Totalenergies S.E.
Uche, O., Rochester Institute of Technology

Presentations

03:30 PM

(9a) Atomistic-Level Insights into the Interfacial Interactions between Amyloid-Beta and Phospholipid Bilayers for the Treatment of Alzheimer’s Disease

04:00 PM

(9c) Computational Discovery of Plastic-Binding Peptides for Microplastic Remediation

04:15 PM

(9d) Computational Investigation of Bijels As Separation Systems

04:30 PM

(9e) Adsorption of Trace Metal Contaminants from Coal-Derived Syngas on Metal Surfaces and Novel Bimetallic Adsorbents

04:45 PM

(9f) Vapor-Liquid Equilibrium and Nucleation Studies of Water from First Principles-Based Machine Learning Models

05:00 PM

(9g) Metastable Liquid-Liquid Criticality in Supercooled Wail Water

05:15 PM

(9h) Molecular Dynamics of Ethoxylated Surfactants in Water/N-Heptane Interface

05:30 PM

(9i) Dynamic Molecular Switching for Environmentally Adaptive Surfaces

05:45 PM

(9j) Interactions of Cellulosic Oligomers with Different Crystallographic Surfaces of Cellulose Nanocrystals through Molecular Simulation