Computational Approaches to Energy Materials

John Wiley & Sons, Ltd., 2013. — 311 p. A new book on the application of computational methods to energy materials research has been published by Wiley. The book, entitled " Computational Approaches to Energy Materials" is co-edited by our own Dr Aron Walsh, along with Professor Richard Catlow and Dr Alexey Sokol from UCL's Department of Chemistry. It also contains a chapter on lithium battery materials written by Professor Saiful Islam. The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research.