2020 Virtual AIChE Annual Meeting

Session: Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)

Chair

M. Scott Shell, University of California, Santa Barbara

Co-Chair

Arthi Jayaraman, University of Delaware, Newark

Presentations

08:00 AM

(150a) Analysis of Binary Adsorption into a Surfactant Bilayer Using Gibbs Ensemble Monte Carlo Simulations and Ideal Adsorbed Solution Theory
Mona Minkara

08:15 AM

(150b) Pushing the Frontier of Organic Optoelectronics through Computational Design of Open-Shell Donor-Acceptor Macromolecules
Md Abdus Sabuj, Chandra Sarap, Obinna Muoh, John D. Teas, Cameron Gruich, Neeraj Rai

08:30 AM

(150c) Molecular-Level Insights into How Liquid Water Influences Thermodynamics at Water/Heterogeneous Catalyst Interfaces
Xiaohong Zhang, Tianjun Xie, Ali Estejab, Rachel B. Getman

08:45 AM

(150d) Computational Insights into Nanobiotechnology
Alfredo Alexander-Katz

09:00 AM

(150e) Model for Intrinsically Disordered Proteins with a Strong Dependence of Liquid-Liquid Phase Separation on Sequence
Antonia Statt, Helena Casademunt, Clifford P. Brangwynne, Athanassios Panagiotopoulos

09:15 AM

(150f) Datamining Multicomponent Active Matter
Daphne Klotsa, Thomas Kolb