Despite its potential, predictive analysis in catalysis faces several challenges:
- Data Quality: Reliable predictions require high-quality experimental and computational data. - Complexity of Catalytic Systems: Catalytic reactions often involve complex mechanisms that are difficult to model accurately. - Computational Resources: High-fidelity simulations and machine learning models can be computationally expensive. - Interdisciplinary Knowledge: Effective predictive analysis requires expertise in chemistry, physics, computer science, and materials science.
