The key components of the Catalysis Data Science Initiative include:
Data Collection: Aggregating and curating data from various sources, including experimental results, computational models, and literature. Data Analysis: Employing advanced statistical and machine learning techniques to analyze the collected data. Model Development: Creating predictive models that can forecast the behavior of catalysts under different conditions. Validation and Optimization: Experimentally validating the predictions and optimizing the catalysts based on the findings. Collaboration: Promoting interdisciplinary collaboration among chemists, data scientists, and engineers.