2020 Virtual AIChE Annual Meeting

Session: Innovations in Methods of Data Science

Chair

White, A., University of Rochester

Co-Chair

Rangarajan, S., Lehigh University - Dept of Chem & Biomolecular

Presentations

08:00 AM

(477a) An Autonomous Computational Workflow for Efficient Generation of Polymer Data

08:15 AM

(477b) Leveraging Experimental Transition Metal Complex Information to Improve Generalizability of Machine Learning Models

08:30 AM

(477c) A Formal Grammar-Based Machine Learning Approach for Predicting Reaction Outcomes

08:45 AM

(477d) Inverse Learning of Material Physics through Image Data and Continuum Modeling

09:00 AM

(477g) Improved Training of Graph-Embedding Based Neural Network Energy Functions for Catalysis

09:15 AM

(477h) Explainability Based Fault Detection and Diagnosis Using Deep Learning

09:30 AM

(477i) Physical Graph Neural Networks for Prediction of Fuel Ignition Quality

09:45 AM

(477j) Adaptive Spectral Graph Convolutional Neural Network in Crystal Property Prediction

10:00 AM

(477k) Interpretable Model for Molecular Data Fusion

10:15 AM

(477l) Leveraging Structure and Property Information for Building Maps of Materials