2025 AIChE Annual Meeting

Session: Computational solid state and ML/AI Part 2

Chair

Yuriy Abramov, Porton USA

Co-Chair

Yasser Jangjou, University of Houston

Presentations

11:30 AM

(698a) The Synergy of Computational Modeling, Machine Learning, and Experiments in Pharmaceutical Solid-State Research and Development
R. Alex Mayo, GuangXu Sun, Michael A. Bellucci, Zhuocen Yang, Wenbo Fu, Jiuchuang Yuan, Qun Zeng

11:55 AM

(698b) Harnessing Computational Tools to Guide Solvent Selection for Optimizing Particle Morphology in API Crystallization
Jacek Zeglinski, Xiunan Zhang, Gary Morris, Cheemarla Vinay, Brian Glennon, Barbara Wood

12:20 PM

(698d) Understanding Formation of Cholesterol Clusters in a Biomimetic Solvent Using Mesoscale Molecular Simulations
Ayush Gupta, Hasan Zerze, Dipayan Chakraborty, Peter G. Vekilov, Jeffrey Rimer, Gül Zerze

12:45 PM

(698e) Causal Molecular Machine Learning for Solubility Prediction, Feature Attribution, and Molecular Optimization
Christian Natajaya, Jackson Burns, Lucas Attia

01:10 PM

(698f) Streamlining Bioprocess Development through Transfer Learning: A Novel Approach to Model Calibration and Experimental Design
Kevin Healy

01:35 PM

(698g) Hybrid CFD-ML Model for Predicting Droplet Formation during Vial Filling Operation
Ahsan Munir, Kyle Fergie, Ehsan Rahimi, Mohana Gurunadhan, Hossam Metwally, Adam Procopio