Use of Force Fields in Materials Modeling

  1. Kenny B. Lipkowitz and
  2. Donald B. Boyd
  1. Jörg-Rüdiger Hill,
  2. Clive M. Freeman and
  3. Lalitha Subramanian

Published Online: 5 JAN 2007

DOI: 10.1002/9780470125939.ch3

Reviews in Computational Chemistry, Volume 16

Reviews in Computational Chemistry, Volume 16

How to Cite

Hill, J.-R., Freeman, C. M. and Subramanian, L. (2000) Use of Force Fields in Materials Modeling, in Reviews in Computational Chemistry, Volume 16 (eds K. B. Lipkowitz and D. B. Boyd), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470125939.ch3

Author Information

  1. Molecular Simulations Inc., 9685 Scranton Road, San Diego, California 92121-3752

Publication History

  1. Published Online: 5 JAN 2007
  2. Published Print: 1 JAN 2000

ISBN Information

Print ISBN: 9780471386674

Online ISBN: 9780470125939

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Keywords:

  • force fields;
  • materials modeling;
  • force field parameterization;
  • materials science;
  • microporous materials

Summary

This chapter contains sections titled:

  • Introduction

  • The Force Field Approach to Describing Structures of Materials

  • Force Field Parameterization

  • Application of Force Fields in Materials Science

  • Conclusions