2021 Annual Meeting

Session: Practical Applications of Computational Chemistry and Molecular Simulation II

Chair

Co-Chairs

Browning, A., Schrodinger, Inc.
Arturo, S. G., The Dow Chemical Company
Westmoreland, P., North Carolina State University

Presentations

12:30 PM

(501a) Determining Optimal Solvents for High-Throughput Processing of Extreme-Strength Covalent Organic Frameworks

01:10 PM

(501c) Computational Modeling of Aluminum Covetics for Improving Manufacturing Yields

01:30 PM

(501d) Molecular Aspects of Temperature Swing Solvent Extraction for Brine Desalination Using Imidazole-Based Solvents.

02:00 PM

(501f) Brownian Bridge Method for Studying Rare Events – an Approximation Scheme

02:30 PM

(501h) Development of Two Sequential Kmc Models to Describe Ligand Exchange and Charge Transport for CsPbBr3 Quantum Dots with Improved Stability and Charge Carrier Mobility

02:45 PM

(501i) Mechanism of Inorganic Phosphate Release Reaction in Actin Subunits