This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with r

This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

This book presents advances in computational methods, experimental synthesis, and advanced characterizations for novel catalytic materials. The authors show how

The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contempora