Handbook of Materials Modeling

Applications: Current and Emerging Materials

  • Wanda Andreoni
  • Sidney Yip
Living reference work

Table of contents

  1. Karsten Reuter, Horia Metiu
  2. Iek-Heng Chu, Minghao Zhang, Shyue Ping Ong, Ying Shirley Meng
  3. Ching-Long Lin, Sanghun Choi, Babak Haghighi, Jiwoong Choi, Eric A. Hoffman
  4. Matthias Hettel, Martin Wörner, Olaf Deutschmann
  5. Abhinav S. Raman, Aleksandra Vojvodic
  6. Branislav K. Nikolić, Kapildeb Dolui, Marko D. Petrović, Petr Plecháč, Troels Markussen, Kurt Stokbro
  7. Alexander Bagger, Ivano E. Castelli, Martin Hangaard Hansen, Jan Rossmeisl
  8. Stefano Baroni, Riccardo Bertossa, Loris Ercole, Federico Grasselli, Aris Marcolongo
  9. Marina R. Filip, George Volonakis, Feliciano Giustino
  10. J. P. Balbuena, Maria J. Caturla, E. Martinez
  11. Aleandro Antidormi, Luciano Colombo
  12. S. Sanvito, M. Žic, J. Nelson, T. Archer, C. Oses, S. Curtarolo
  13. Mehmet C. Onbaşlı, Adama Tandia, John C. Mauro
  14. Benjamin Spencer, Daniel Schwen, Jason Hales
  15. Alireza Yazdani, Peng Zhang, Jawaad Sheriff, Marvin J. Slepian, Yuefan Deng, Danny Bluestein

About this book


The Handbook of Materials Modeling is a four-volume major reference for computational material scientists, serving a steadily growing community at the intersection of two mainstreams of global research, materials technology and computational science. Since its first publication in 2006 it has set a standard toward defining the broad community and stimulating its growth. The second edition reflects the significant developments that have occurred in all aspects of computational materials research, ranging from fundamental concepts to increasingly more realistic models and more powerful multiscale simulation methods in the intervening 10 years. This new edition has a three-fold objective:      

•  Strengthen the foundational attributes of materials theory, modeling and simulation wherever appropriate.

•  Broaden the scope of HMM to include challenges and opportunities in emerging areas of interdisciplinary interest.

•  Focus on applications to demonstrate and expand on the capabilities of current models and simulation methods.

The Handbook is organized in two parts. This is Part II: Applications. This part is focused on materials of current and emerging interest. By applications we mean new studies showing, in particular, the impact of diverse computational methods on understanding the physics of complex new unconventional materials, and presenting a critical assessment of algorithms and models in predicting the behavior of real materials.


Quantum Mechanics/ Molecular Mechanics (QM/MM) Time-Dependent Density Functional Theory (TDDFT) Multiscale materials modeling Coarse-grained models Atomistic simulations Microstructure evolution Computational materials science reference Materials modelling reference

Editors and affiliations

  • Wanda Andreoni
    • 1
  • Sidney Yip
    • 2
  1. 1.Institute of PhysicsÉcole Polytechnique Fédérale de LausanneLausanneSwitzerland
  2. 2.Department of Nuclear Science & EngineeringMassachusetts Institute of TechnologyCambridgeUSA

Bibliographic information

  • DOI
  • Copyright Information Springer Nature Switzerland AG 2018
  • Publisher Name Springer, Cham
  • eBook Packages Physics and Astronomy
  • Online ISBN 978-3-319-50257-1