Multiscale Paradigms in Integrated Computational Materials Science and Engineering

Materials Theory, Modeling, and Simulation for Predictive Design

  • Pierre Deymier
  • Keith Runge
  • Krishna Muralidharan

Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 226)

Table of contents

  1. Front Matter
    Pages i-ix
  2. Pierre A. Deymier, Keith Runge
    Pages 1-11
  3. Pierre A. Deymier, Keith Runge, Ki-Dong Oh, G. E. Jabbour
    Pages 13-106
  4. S. M. Valone, Krishna Muralidharan, Keith Runge
    Pages 107-194
  5. Nan Wang, Long-Qing Chen
    Pages 195-217
  6. Ibrahim Guven
    Pages 219-247
  7. Krishna Muralidharan, Keith Runge, Pierre A. Deymier
    Pages 249-297
  8. Back Matter
    Pages 299-300

About this book


This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.


Computational Materials Science and Engineering Interatomic Potentials Multiscale Modeling Nano- and Meso-Scale Materials Phenomena Nano- and Meso-Scale Materials Phenomena Orbital-free Density Functional Theory (OFDFT) Path Integral Molecular Dynamics (PIMD) Phase Field Methods Predictive Simulation

Editors and affiliations

  • Pierre Deymier
    • 1
  • Keith Runge
    • 2
  • Krishna Muralidharan
    • 3
  1. 1.Dept of Materials Sci & EngineeringUniversity of ArizonaTucsonUSA
  2. 2.Department of Materials Science and EngineeringUniversity of ArizonaTucsonUSA
  3. 3.Department of Materials Science and EngineeringUniversity of ArizonaTucsonUSA

Bibliographic information

  • DOI
  • Copyright Information Springer International Publishing Switzerland 2016
  • Publisher Name Springer, Cham
  • eBook Packages Physics and Astronomy
  • Print ISBN 978-3-319-24527-0
  • Online ISBN 978-3-319-24529-4
  • Series Print ISSN 0933-033X
  • Series Online ISSN 2196-2812
  • Buy this book on publisher's site
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Chemical Manufacturing
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