Computational Modeling of Inorganic Nanomaterials

Offering a detailed summary of available modeling methods, both “top-down” and “bottom-up”, this book offers systematic coverage of the use of modeling in the development and application of inorganic nano-materials in industry including sensors, optics, biotechnology, and solar cells. It provides readers with the necessary information to choose the right models and methods for describing particular physical and chemical properties of inorganic materials at varying length scales. Sections include Structure and Dimensionality; Thermodynamics and Nucleation; Magnetic, Optical, and Electronic and Transport Properties; and Case Studies.

Prof. Stefan Bromley is an ICREA (Institucio Catalana de Recerca i Estudis Avancats ) Research Professor at the Departament de Quimica Fisica, Universitat de Barcelona and leads the “Nanoclusters and Nanostructured Materials” group. Since his PhD in Computational Physics (University of Southampton, UK) in 1997 he has held research posts in the U.K. (Postdoctoral fellow, Royal Institution of Great Britain), the Netherlands (Associate Professor, Delft University of Technology) and Spain (Ramon y Cajal fellowship, University of Barcelona). Dr. Bromley has published over 100 refereed articles (including 2 reviews on inorganic nanomaterials) and 5 book chapters and has given ~35 invited talks. His main research interest is in the structure and properties of inorganic nanoclusters and their use as novel materials building blocks.

Dr. Martijn Zwijnenburg is currently an EPSRC Career Acceleration Fellow and Lecturer in the Chemistry Department of University College London (UCL), after previous stints as Juan de la Cierva Fellow at the University of Barcelona's Chemistry Department and as a Marie Curie Fellow at the Royal Institution of Great Britain. His group at UCL focuses on the study of the excited state properties of both nanomaterials and conjugated poly