2023 AIChE Annual Meeting

Session: New Frontiers of Molecular Thermodynamics (Invited Talks)

Chair

Shikha Nangia, Syracuse University

Co-Chair

Sumit Sharma, Ohio University

Presentations

08:00 AM

(7a) Accomplishments, challenges and outlook for accelerating and optimizing materials and processing discovery using machine learning
Paulette Clancy

08:30 AM

(7b) Applications of Machine Learning and Bayesian Statistics in Coarse-Grained Molecular Dynamics
Sanket Deshmukh

09:00 AM

(7c) Coarse-grained simulations of side chain liquid crystal polymers with different types of attachments
Lisa Hall, Diego Becerra

09:30 AM

(7d) Achieving Quantum Mechanical Accuracy for Modeling Reaction-diffusion Process in Liquid-phase Heterogeneous Catalysis
Neeraj Rai