Why are Computational Resources Important in Catalysis?
Computational resources are crucial in catalysis because they allow researchers to explore reaction mechanisms at the atomic and molecular level, which can be challenging to study experimentally. They help in predicting the performance of catalysts, optimizing reaction conditions, and designing new catalysts with improved activity, selectivity, and stability. By leveraging these tools, researchers can save time and reduce costs associated with experimental trial-and-error approaches.
