2021 Annual Meeting

Session: Recent Advances and Applications of Molecular Modeling Virtual

Chair

Shah, J., Oklahoma State University

Presentations

08:00 AM

(594e) Understanding Water Slip on Defective Boron Nitride Surfaces: Combined Quantum and Classical Modeling of Solid–Liquid Friction
Seal, A., Govind Rajan, A.

08:25 AM

(594f) Molecular Simulations Study of Corrosion Inhibitors Performance on Different Surface Morphologies in CO2-Saline Aqueous Phase
AlAreeqi, S., Bahamon, D., Nogueira, R., Vega, L.

08:50 AM

(594h) What Makes Paint Stick? Insights from Computer Simulations of Epoxy Resin Binding on Iron Oxide / Oxide-Hydroxide Surfaces
Wand, C., Siperstein, F. R., Gibbon, S.

09:15 AM

(588d) Free Energy Calculation with Non-Uniform Windows for Improved Computational Efficiency: A Proof of Concept
Vasudevan, N., Xi, L., Li, D.

09:40 AM

(627i) Quick CH4 Hydrate Nucleation By Ice-Catalytic Effect through Hydrate like Order Propagation: A Molecular Dynamics Study
Kumar, D., Lin, S. T., Wu, D.

10:05 AM

(627d) Leaching Rate of Silver Ions from Engineered Nanosilver
Goudeli, E., Chaparro, D.