What are the Challenges in Computational Modeling?
Despite its advantages, computational modeling in catalysis faces several challenges:
Computational Cost: High accuracy simulations can be computationally expensive and time-consuming. Accuracy of Models: The reliability of predictions depends on the accuracy of the models and the quality of the input data. Complexity of Catalytic Systems: Real-world catalytic systems can be very complex, making it difficult to model all relevant interactions accurately.
