Computational Nanoscience RSC [Hardcover]

Computational Nanoscience documents major recent advances in scientific computation, mathematical models and theory development that specifically target the future applications of nanotechnology. The remarkable improvements in both theoretical methods and computer technology make it now possible for modern computational nanoscience to achieve a new level of chemical accuracy. It places computational nanoscience in the position where it can lead and guide the experimental efforts. This book will satisfy the current need for a comprehensive, yet concise and up-to-date, survey of the new developments and applications. Written by the world's leading academics, this book is suitable for a readership made up of theoreticians and also experimental researchers who can learn what computational nanoscience can achieve and how it maybe applied to their work. Post-graduate and undergraduate students will also find this a useful resource.Elena Bichoutskaia is based in the Department of Chemistry at the University of Nottingham. Prior to this she worked in the Departments of Chemistry at the Universities of Cambridge and Sussex and held a Royal Society/NATO Fellowship at The Queen's University of Belfast. She has contributed to 35 academic papers and is the recipient of eight academic awards. Dr Bichoutskaia has also been invited to speak at numerous seminars, symposia and conferences. She has extensive university teaching experience and was involved in the development of the new Natural Sciences (BSc Honours and MSci Honours) degree courses at the University of Nottingham.Algorithms for Predicting the Physical Properties of Nanocrystals and Large Clusters; Rational Design of Mixed Nanoclusters: Metal Shells Supported and Shaped by Molecular Cores; Self-assembly of Nanoclusters: an Energy Landscape Perspective; Phase Transition under Confinement; Simulating Thermo-Mechanical Phenomena of Nanoscale Systems; Computational Electrodynamics Methods; Large Scale Electronic Transport Calã