Scientific Sessions

The field of industrial catalysis is critical to achieving both economic and environmental sustainability in large-scale chemical production. Catalysts are used in various industries to speed up chemical reactions, increase selectivity, and reduce the overall energy consumption of processes. In the petrochemical industry, catalysts are integral to refining processes such as catalytic cracking, where large hydrocarbons are broken down into valuable products like gasoline, diesel, and jet fuel. Catalysis also plays an important role in the production of essential chemicals such as ammonia, methanol, and ethylene, where it helps control reaction pathways, ensuring higher yields and minimizing waste. As industries strive to meet stringent environmental regulations, catalytic processes are increasingly being developed to reduce emissions and improve efficiency. Computational catalysis plays a pivotal role in modern chemical engineering and catalytic chemistry, offering insights and solutions to enhance catalyst design and optimize catalytic processes. Utilizing advanced computational techniques, such as density functional theory (DFT) and molecular dynamics (MD) simulations, researchers can explore the intricate mechanisms underlying catalytic reactions at the atomic level.