7. Modeling and Simulation of Nanoscale Materials

  1. Sharmila M. Mukhopadhyay
  1. Soumya S. Patnaik1 and
  2. Mesfin Tsige2

Published Online: 31 AUG 2011

DOI: 10.1002/9781118114063.ch7

Nanoscale Multifunctional Materials: Science and Applications

Nanoscale Multifunctional Materials: Science and Applications

How to Cite

Patnaik, S. S. and Tsige, M. (2011) Modeling and Simulation of Nanoscale Materials, in Nanoscale Multifunctional Materials: Science and Applications (ed S. M. Mukhopadhyay), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118114063.ch7

Editor Information

  1. Center for Nanoscale Multifunctional Materials, Wright State University, Dayton, Ohio, USA

Author Information

  1. 1

    Air Force Research Laboratory, Wright-Patterson Air Force Base, Dayton, Ohio, USA

  2. 2

    Department of Polymer Science, University of Akron, Akron, Ohio, USA

Publication History

  1. Published Online: 31 AUG 2011
  2. Published Print: 1 AUG 2011

ISBN Information

Print ISBN: 9780470508916

Online ISBN: 9781118114063

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Keywords:

  • nanoscale material modeling and simulation;
  • ab initio molecular dynamics (AIMD) methods;
  • molecular dynamics (MD) and Monte Carlo (MC)

Summary

This chapter contains sections titled:

  • Introduction

  • Ab Initio Methods

  • Classical Methods

  • Summary