Computational Materials Science

From Basic Principles to Material Properties

  • Editors
  • W. Hergert
  • M. Däne
  • A. Ernst

Part of the Lecture Notes in Physics book series (LNP, volume 642)

Table of contents

  1. Front Matter
  2. The Editors
    Pages 1-3
  3. A. Ernst, M. Lüders
    Pages 23-54
  4. K. Busch, F. Hagmann, D. Hermann, S.F. Mingaleev, M. Schillinger
    Pages 55-74
  5. W. Hergert, M. Däne, D. Ködderitzsch
    Pages 103-125
  6. V.S. Stepanyuk, W. Hergert
    Pages 159-176
  7. P. Entel, W.A. Adeagbo, M. Sugihara, G. Rollmann, A.T. Zayak, M. Kreth et al.
    Pages 177-206
  8. S. McGrother, G. Goldbeck-Wood, Y.M. Lam
    Pages 223-233
  9. Back Matter

About this book


Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.


basics catalysis crystal design dynamics experimental physics liquid magnetism materials properties materials science modeling nanotechnology photonics physics simulation

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag Berlin/Heidelberg 2004
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-21051-1
  • Online ISBN 978-3-540-39915-5
  • Series Print ISSN 0075-8450
  • Series Online ISSN 1616-6361
  • Buy this book on publisher's site