What are the Key Applications of AI and ML in Catalysis?
AI and ML are being applied in various aspects of catalysis, including:
Catalyst Discovery: AI algorithms can screen vast libraries of potential catalysts to identify candidates with desirable properties. This accelerates the identification of new and efficient catalysts. Reaction Optimization: ML models can predict optimal reaction conditions, such as temperature, pressure, and reactant concentrations, to maximize yield and minimize by-products. Mechanistic Studies: AI can analyze data from spectroscopic and kinetic studies to elucidate reaction mechanisms, providing insights into how catalysts function at the molecular level. Process Monitoring and Control: AI-powered systems can monitor catalytic reactions in real-time, adjusting parameters to maintain optimal performance and prevent issues.
