What Are Some Current Applications of QML in Catalysis?
Researchers are exploring several applications of QML in catalysis: 1. Reaction Mechanism Prediction: QML models can predict the pathways and intermediates of catalytic reactions, helping to elucidate complex mechanisms. 2. Material Discovery: By screening large libraries of potential catalyst materials, QML can identify promising candidates for experimental validation. 3. Optimization: QML can optimize reaction conditions, such as temperature and pressure, to maximize the efficiency of catalytic processes.
