Why are High Dimensional Datasets Important in Catalysis?
High dimensional datasets are crucial for several reasons:
Understanding Reaction Mechanisms: By analyzing multi-variable data, researchers can gain insights into the mechanisms of catalytic reactions and identify key intermediates and transition states. Optimizing Catalysts: These datasets enable the optimization of catalyst design by correlating performance with various structural and compositional parameters. Predictive Modeling: High dimensional data allows for the development of predictive models that can forecast catalyst behavior under different conditions, thus expediting the discovery of new catalysts.
