2023 AIChE Annual Meeting

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

Chair

M. Scott Shell, UC Santa Barbara

Co-Chair

Shikha Nangia, Syracuse University

Presentations

12:35 PM

(107a) What Can Molecular Modeling and Machine Learning Teach Us about Ionic Liquid-Ionic Liquid Mixtures?
Jindal Shah

12:55 PM

(107b) Navigating the Landscape of Advanced Materials
Yamil Colón

01:15 PM

(107c) Navigating and Sculpting Structure-Function Landscapes of Polymeric Materials
Michael Webb

01:35 PM

(107d) Effect of Temperature and Shear on Protein Denaturation: Insights from Molecular Dynamics Simulations
Janani Sampath

01:55 PM

(107e) Developing Optimal Hyper-Elastic Liposomes for Drug Delivery: Insights from Molecular Simulations
Francisco Hung

02:15 PM

(107f) Far and Few in between: Probing Structure-Selectivity Relationship in Membranes Using Path Sampling Techniques
Brian Shoemaker, Amir Haji-Akbari, Hessam Malmir, Tiago Domingues, Omar Khalifa

02:35 PM

(107g) Accurate and Low-Cost Predictions of Complex Solvation and Reactivity Phenomena in Chemistry and Catalysis
Alexander V. Mironenko