Big data in catalysis is collected through various methods:
1. High-throughput experimentation: Automated systems conduct numerous experiments simultaneously, generating large datasets on catalyst performance under different conditions. 2. Computational simulations: Techniques like density functional theory (DFT) and molecular dynamics (MD) simulations produce detailed data on catalytic processes at the atomic and molecular levels. 3. Spectroscopic techniques: Methods such as X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and infrared spectroscopy (IR) provide data on the structural and chemical properties of catalysts.
