2020 Virtual AIChE Annual Meeting

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

Chair

Ulissi, Z., Carnegie Mellon University

Co-Chairs

Presentations

08:00 AM

(45a) Discovery of Light-Driven Hydrogen Evolution Catalysts Using High Throughput Simulation, Experiments and Machine Learning

08:15 AM

(45b) High Throughput Screening of Alloy Structures for Propane Dehydrogenation Reaction

08:30 AM

(45c) Theory-Guided, Interpretable Machine Learning Finds Predictive Geometric Structure-Property Relationships for Chemisorption on Alloys

08:45 AM

(45d) Trends in Catalyst Stability and Reactivity: Extracting Physical Insights Using Simple Data-Driven Approaches

09:00 AM

(45e) Orienteering in an Uncharted Chemical Space: Searching for an Optimal Bimetallic Nanocatalyst

09:15 AM

(45f) Physics Informed Machine Learning of Chemisorption at Metal Surfaces

09:30 AM

(45g) Improved Catalyst Predictions with Machine Learning Coupled Alchemical Perturbation Density Functional Theory