2024 AIChE Annual Meeting

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

Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)

Chair

Shikha Nangia, Syracuse University

Co-Chair

Scott Shell, University of California Santa Barbara

Presentations

12:35 PM

(516a) Far and Few in between: Probing Structure-Selectivity Relationship in Membranes Using Path Sampling Techniques
Amir Haji-Akbari, Brian Shoemaker, Hessam Malmir, Tiago Domingues, Omar Khalifa

12:55 PM

(516b) Physics-Inspired Machine Learning Potentials for Unraveling Mysteries in Electrolyte Solutions
Shuwen Yue

01:15 PM

(516c) Understanding Ionomer Membrane Structure Via Analysis of Small Angle Scattering Profiles and Coarse-Grained Molecular Simulations
Jason Madinya, Stephen Kronenberger, Arthi Jayaraman

01:35 PM

(516d) Assembly of Short Amphiphilic Peptoids into Nanohelices with Controllable Supramolecular Chirality: Insights from Computational Simulation and Theoretical Analysis
Renyu Zheng, Mingfei Zhao, Jingshan Du, Tarunya Sudarshan, Yicheng Zhou, Anant Paravastu, James J. De Yoreo, Andrew Ferguson, Chunlong Chen

01:55 PM

(516e) Dynamics and Drying-Induced Assembly of Shape-Anisotropic Nanoparticles
Michael Howard

02:35 PM

(516g) Developing Data-Driven Methods to Enable Computationally Efficient First-Principles Kinetic Models in Nanoporous Catalysts
Brandon C. Bukowski