What are the primary sources of data in catalysis?
Data in catalysis can be sourced from various origins, including high-throughput experimentation, computational chemistry simulations, and literature databases. High-throughput experimentation generates vast amounts of data by automating the testing of multiple catalytic reactions simultaneously. Computational methods, such as density functional theory (DFT) and molecular dynamics, provide detailed insights into the atomic and molecular interactions within catalysts. Literature databases compile experimental results from published research, offering a rich repository of information.