2020 Virtual AIChE Annual Meeting

Session: Applications of Molecular Modeling to Study Water Mediated Interfacial Phenomena

Chair

Co-Chairs

Mona Minkara, Northeastern University
Vance Jaeger, University of Louisville

Presentations

08:00 AM

(286a) Charting the Design Space of Chemically-Heterogeneous Surfaces That Manipulate Water-Mediated Interactions
M. Scott Shell, Jacob I. Monroe, Sally Jiao, Dennis Robinson-Brown, Lynn E. Katz

08:15 AM

(286b) Predicting Perturbations to Water Structure By Chemically Heterogeneous Self-Assembled Monolayers to Understand Context-Dependent Hydrophobicity
Bradley C. Dallin, Atharva Kelkar, Reid Van Lehn

08:30 AM

(286c) Effect of Multivalent Surface Cations on Heterogeneous Freezing of Water
Sapna Sarupria, Will Cantrell, Jiarun Zhou, Nurun Nahar Lata, Mike Larsen, Pearce Hamilton

08:45 AM

(286d) Understanding the Aqueous Solubility and Adsorption Behavior of Surfactant Molecules on Metal-Water Interfaces Using Atomistic Simulations
Sumit Sharma, Abolfazl Faeli Qadikolae

09:00 AM

(286e) Molecular Dynamics Simulations of Liquid-Liquid Interfacial Properties between Water and Hydrophobic Deep Eutectic Solvents
Usman Abbas, Qing Shao

09:15 AM

(286g) Star Polymers and Their Interaction with Lipid Membranes Via Coarse-Grained Molecular Simulations
Kevin Hinkle

09:30 AM

(286h) The Influence of Sequenced Peptoids in Controlling Five-Fold Twinned Au Nanostar Formation
Xin Qi, Jim Pfaendtner

09:45 AM

(286i) Tlmutation: Predicting the Effects of Mutations Using Transfer Learning.
Diwakar Shukla