2020 Virtual AIChE Annual Meeting

Session: Applications of Data Science in Catalysis and Reaction Engineering II

Chair

Ulissi, Z., Carnegie Mellon University

Co-Chairs

Presentations

08:00 AM

(106a) Molecular Design Blueprints: Catalysts and Principles from New Simulation and Machine Learning Tools

08:15 AM

(106b) Machine Learning Quantum Tunneling in the Kinetics of Chemical Reactions

08:30 AM

(106c) Improved Catalyst Design and Performance through Application of Machine Learning Algorithms

08:45 AM

(106d) Improving the Reusability of Machine Learning Models for Materials

09:00 AM

(106e) The Open Catalyst Project Dataset

09:15 AM

(106f) Active-Learning Framework for the Discovery of Novel Materials for Catalysis

09:30 AM

(106g) Identifying Interaction Trends between Single Metal Atoms and Modified MgO(100) Supports with Statistical Learning

09:45 AM

(106h) How to Fix Some of Our Errors Via Data Science