Computational Catalysis

Discover the cutting-edge world of catalyst modeling with the second edition of Computational Catalysis by Aravind Asthagiri, published by the Royal Society of Chemistry in 2024. This comprehensive volume spans 362 pages, offering an insightful exploration of the significant advancements made possible by enhanced computing power and innovative methods such as machine learning.

This updated edition serves as both an introduction and a detailed guide to the latest techniques in first-principles-based modeling of catalysts. Whether you are a researcher, student, or industry professional, this book equips you with the knowledge needed to navigate the evolving landscape of computational catalysis. Enhance your understanding and stay ahead in the field with this essential resource.