What are the Challenges in Using Computational Resources?
Despite their advantages, there are several challenges associated with using computational resources in catalysis:
Computational Cost: High-accuracy simulations require significant computational power and time, which can be expensive. Model Accuracy: The accuracy of computational models depends on the quality of the underlying theoretical methods and parameters. Scalability: Scaling up from small model systems to realistic catalytic systems can be challenging. Integration: Integrating computational results with experimental data to achieve a comprehensive understanding of catalysis.
