Why is Computational Power Important in Catalysis?
In the realm of catalysis, computational power allows scientists to delve into the complexities of catalytic mechanisms at a molecular level. This is crucial for several reasons:
Predictive Modeling: Computational tools can predict the performance of new catalysts, saving time and resources in experimental testing. Understanding Mechanisms: Detailed simulations help elucidate the mechanisms of catalytic reactions, providing insights that can guide the design of more efficient catalysts. Optimization: Computational methods allow for the optimization of catalytic processes by simulating different conditions and configurations.
