What Are the Key Applications of Machine Learning in Catalysis?
Some of the primary applications of ML in catalysis include:
Catalyst Design: Predicting the performance of new catalysts based on their structure and composition. Reaction Optimization: Finding optimal conditions for catalytic reactions, such as temperature, pressure, and concentration. Mechanistic Insights: Uncovering the underlying mechanisms of catalytic reactions by analyzing data from experiments and simulations. High-Throughput Screening: Analyzing large datasets from experimental screenings to identify potential catalysts quickly.
