© 1993

Computer Simulation in Chemical Physics

  • M. P. Allen
  • D. J. Tildesley

Part of the NATO ASI Series book series (ASIC, volume 397)

Table of contents

  1. Front Matter
    Pages i-xii
  2. D. J. Tildesley
    Pages 1-22
  3. D. J. Tildesley
    Pages 23-47
  4. M. P. Allen
    Pages 49-92
  5. D. Frenkel
    Pages 93-152
  6. M. Ferrario
    Pages 153-171
  7. M. Sprik
    Pages 211-259
  8. G. Galli, A. Pasquarello
    Pages 261-313
  9. K. Kremer
    Pages 397-459
  10. B. Smit
    Pages 461-472
  11. P. A. J. Hilbers, K. Esselink
    Pages 473-495
  12. M. Ferrario
    Pages 497-503
  13. Back Matter
    Pages 505-519

About this book


Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software.
All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.


Monte Carlo method Potential liquid polymer polymers

Editors and affiliations

  • M. P. Allen
    • 1
  • D. J. Tildesley
    • 2
  1. 1.H.H. Wills Physics LaboratoryUniversity of BristolBristolUK
  2. 2.Department of ChemistryUniversity of SouthamptonSouthamptonUK

Bibliographic information