Computer-Based Modeling of Novel Carbon Systems and Their Properties

Beyond Nanotubes

  • Luciano Colombo
  • Annalisa Fasolino

Part of the Carbon Materials: Chemistry and Physics book series (CMCP, volume 3)

Table of contents

  1. Front Matter
    Pages i-vii
  2. Luca M. Ghiringhelli, Evert Jan Meijer
    Pages 1-36
  3. Gotthard Seifert, Agnieszka Kuc, Thomas Heine
    Pages 57-77
  4. Nigel A. Marks
    Pages 129-169
  5. Xavier Blase, Giorgio Benedek, Marco Bernasconi
    Pages 171-206
  6. M. G. Ganchenkova, T. T. Vehviläinen, R. M. Nieminen
    Pages 207-240
  7. Back Matter
    Pages 241-249

About this book


During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is needed to make significant progress in the carbon field.

This volume provides the reader with a survey of state-of-the-art theoretical and computational contributions featuring novel carbon systems (excluding nanotubes). The chapters are authored by leading researchers who are all actively involved with different aspects of carbon structure and property elucidation. Consequently, a variety of methods are presented to the reader. The editors have successfully compiled an informative book that:

  • showcases the latest results in carbon materials
  • demonstrates how different theoretical methods are combined
  • explains how new carbon structures are predicted
  • Computer-Based Modeling of Novel Carbon Systems and Their Properties is aimed at advanced undergraduates, graduates, and researchers with an interest in computational nanomaterials.


    carbon nanofoams carbon phases computer discrete Fourier transform (DFT) electronic properties material materials nanomaterial nanostructured carbon nanotube phase simulation stability structure structures

    Editors and affiliations

    • Luciano Colombo
      • 1
    • Annalisa Fasolino
      • 2
    1. 1.Dipartimento di FisicaUniversità di CagliariMonserratoItaly
    2. 2.Inst. Molecules & MaterialsRadboud University of NijmegenNijmegenNetherlands

    Bibliographic information

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