Atomic-Scale Modeling of Nanosystems and Nanostructured Materials 2010th Edition

The book covers a variety of applications of modern atomic-scale modeling of materials in the area of nanoscience and nanostructured systems. By highlighting the most recent achievements obtained within a single institute, at the forefront of material science studies, the authors are able to provide a thorough description of properties at the nanoscale. The areas covered are structural determination, electronic excitation behaviors, clusters on surface morphology, spintronics and disordered materials. For each application, the basics of methodology are provided, allowing for a sound presentation of approaches such as density functional theory (of ground and excited states), electronic transport and molecular dynamics in its classical and first-principles forms. The book is a timely collection of theoretical nanoscience contributions fully in line with current experimental advances.

Carlo Massobrio, Hervé Bulou and Christine Goyhenex have established their reputations in the area of atomic-scale modelling of materials, with about 200 papers published in international journals.

Areas covered by their research are the structural properties of nanosystems and disordered materials, with special interest for the mechanisms of diffusion and atomic migration at finite temperatures.