2020 Virtual AIChE Annual Meeting

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

Chair

Hatch, H., NIST

Co-Chairs

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

Presentations

08:00 AM

(286a) Charting the Design Space of Chemically-Heterogeneous Surfaces That Manipulate Water-Mediated Interactions
Shell, M. S., Monroe, J. I., Jiao, S., Robinson-Brown, D., Katz, L. E.

08:15 AM

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

08:30 AM

(286c) Effect of Multivalent Surface Cations on Heterogeneous Freezing of Water
Sarupria, S., Cantrell, W., Zhou, J., Lata, N. N., Larsen, M., Hamilton, P.

08:45 AM

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

09:00 AM

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

09:15 AM

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

09:30 AM

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

09:45 AM

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