Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials.

Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces...

Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of...

One of the major developments in Earth Sciences in general, and mineralogy in particular, has been the growth of our understanding of the microscopic behaviour of the complex materials that make up the Earth. This has been made possible by advances in our ability to probe minerals at the atomic level, over a large range of pressure and temperature conditions. New experimental techniques include the use of scanning probe microscopies to investigate mineral surfaces, as well as the use of neutron scattering, nuclear spectroscopies and synchrotron radiation to investigate the bonding and...

Materials chemistry is a growing interdisciplinary field which interfaces with and draws from many disciplines including solid state chemistry and physics, materials science and crystallography. This volume provides a review of the main techniques and topical materials presented by leading workers in the field. The survey of techniques includes in-depth coverage of diffraction, microscopy, NMR and IR spectroscopic methods; and special emphasis is given to the growing role of computational and theoretical techniques. The development of new materials with specific applications is a major...

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...

Synchrotron radiation became available in a routine and regular manner to the scientific community in the early 1980s. Since that time the use of techniques employing synchrotron radiation has proliferated, so that the unique properties of this form ofelectromagnetic radiation are now having a major impact on several areas of physical and biological sciences. Not only have several new techniques become available but new opportunities with existing methodologies, e.g. diffraction, have been opened up. In this book we providea surveyofsomeofthemostimportantapplications ofsynchrotron radiation,...