Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials

  • Carlo Massobrio
  • Hervé Bulou
  • Christine Goyhenex

Part of the Lecture Notes in Physics book series (LNP, volume 795)

Table of contents

About this book


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.


Atomic-scale calculations Cluster Density functional theory Materials science Nanoscience STEM crystal liquid modeling

Editors and affiliations

  • Carlo Massobrio
    • 1
  • Hervé Bulou
    • 2
  • Christine Goyhenex
    • 3
  1. 1.CNRS-UMR 7504Université StrasbourgStrasbourg CX 2France
  2. 2.CNRS-UMR 7504Université StrasbourgStrasbourg CX 2France
  3. 3.CNRS-UMR 7504Université StrasbourgStrasbourg CX 2France

Bibliographic information

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