How are High Dimensional Datasets Generated in Catalysis?
Such datasets are generated through various methods:
Experimental Techniques: Techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and infrared spectroscopy (IR) provide detailed information on catalyst structure and composition. Computational Simulations: Methods like density functional theory (DFT) and molecular dynamics (MD) simulations offer insights into atomic-level interactions and reaction pathways. High-throughput Screening: Automated robotic systems can conduct a large number of experiments in parallel, rapidly generating extensive datasets on catalytic activity and selectivity.
