Computational Modeling of Inorganic Nanomaterials

This volume provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. It guides readers on choosing the most appropriate models and methods for studying the structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems. The book includes examples drawn from state-of-the-art research and discusses the strengths and limitations of various approaches to modeling inorganic nanomaterials.

Autorentext
Stefan T. Bromley, PhD, is a research professor with the Catalan Institution for Research and Advanced Studies (ICREA) based in the Department of Physical Chemistry at the University of Barcelona, where he leads the Nanoclusters and Nanostructured Materials group. Dr. Bromley is the author of more than 120 refereed articles and seven book chapters. His main research interests include the structure and properties of inorganic nanoclusters and their use as novel materials building blocks. Dr. Bromley has become increasingly involved in the study of inorganic nanoclusters with respect to their astronomical importance. He earned a PhD in computational physics from the University of Southampton.Martijn A. Zwijnenburg, PhD, is a lecturer and UK Engineering and Physical Sciences Research Council (EPRSC) Career Acceleration fellow at University College London, where he leads the Computational Photochemistry of Materials research group. Dr. Zwijnenburg is the author of more than 50 refereed articles. His main research interests include the prediction of the excited state properties of inorganic nanostructured, polymeric, and molecular materials; the link between these excited state properties and the application of materials in photovoltaics and photocatalysis; and the generation of realistic structural models of materials. He earned a PhD in chemical engineering from Delft University of Technology.

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