150 Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)

Monday, November 16, 2020: 8:00 AM - 9:00 AM
Computational Molecular Science and Engineering Forum (21) (PreRecorded+)

Description:
This session of invited talks is intended to highlight a selection of the diverse spectrum of researchers and research directions in thermodynamics and computational molecular sciences, with a particular focus on emerging ideas and leadership within the field.

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01A)
Chair:
M. Scott Shell Email: shell@engineering.ucsb.edu
Co-Chair:
Arthi Jayaraman Email: arthij@udel.edu


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


(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 and Neeraj Rai


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


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


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


(150f) Datamining Multicomponent Active Matter
Daphne Klotsa and Thomas Kolb
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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