What are the Challenges in Applying Algorithms to Catalysis?
Despite their potential, several challenges exist in applying algorithms to catalysis. One major challenge is the accuracy and transferability of computational models. Models need to accurately capture the complexities of real-world catalytic systems, which can be difficult due to the vast number of variables involved. Additionally, integrating experimental and computational data remains a significant hurdle, as discrepancies between the two can lead to inaccurate predictions.
