2025 AIChE Annual Meeting

Session: Machine Learning for Nanomaterials for Energy Applications

Machine Learning for Nanomaterials for Energy Applications

Chair

Byungchan Han, Yonsei University

Co-Chair

Joseph Kwon, Texas A&M University

Presentations

08:00 AM

(87a) Graph Neural Network Distillation for Scalable Catalytic Material Exploration
Seokhyun Choung, Jeong Woo Han

08:25 AM

(87b) Digital Chemistry and Engineering of Nanoporous Materials
Yongchul Chung

08:50 AM

(87c) Bridging the Gap in Energy Applications: A Multifaceted DFT-Kmc-Lstm to Investigate the Reaction Kinetics
Chi-Ho Lee, Silabrata Pahari, Joseph Kwon

09:15 AM

(87d) Predicting Small Molecule Enrichment in Biomolecular Condensates through Transfer Learning
Dongheon Lee, Emrah ?im?ek, Lingchong You

09:40 AM

(87e) LLM-Powered Agent for Identifying Stable Adsorption Configurations on Catalytic Surfaces
Janghoon Ock

10:05 AM

(87f) Learning Pairwise Interaction for Extrapolative and Interpretable Machine Learning Interatomic Potentials with Physics-Informed Neural Network
Byungchan Han, Hoje Chun, Minjoon Hong