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. Xin Zhao, Shunqing Wu, Manh Cuong Nguyen, Kai-Ming Ho, Cai-Zhuang Wang
  3. Charlotte S. Becquart, Normand Mousseau, Christophe Domain
  4. Richard F. L. Evans
  5. Iek-Heng Chu, Minghao Zhang, Shyue Ping Ong, Ying Shirley Meng
  6. Ching-Long Lin, Sanghun Choi, Babak Haghighi, Jiwoong Choi, Eric A. Hoffman
  7. Matthias Hettel, Martin Wörner, Olaf Deutschmann
  8. Xue-Zeng Lu, James M. Rondinelli
  9. Enrique Martínez, María José Caturla, Jaime Marian
  10. Abhinav S. Raman, Aleksandra Vojvodic
  11. Alexander A. Demkov, Kurt D. Fredrickson, Hosung Seo, Andrew O’Hara
  12. Branislav K. Nikolić, Kapildeb Dolui, Marko D. Petrović, Petr Plecháč, Troels Markussen, Kurt Stokbro
  13. Alexander Bagger, Ivano E. Castelli, Martin Hangaard Hansen, Jan Rossmeisl
  14. Sushmit Goyal, Hyunhang Park, Sung Hoon Lee, Mathew McKenzie, Aravind Rammohan, Hyunbin Kim et al.
  15. Stefano Baroni, Riccardo Bertossa, Loris Ercole, Federico Grasselli, Aris Marcolongo
  16. Marina R. Filip, George Volonakis, Feliciano Giustino
  17. J. P. Balbuena, Maria J. Caturla, E. Martinez
  18. Aleandro Antidormi, Luciano Colombo
  19. S. Sanvito, M. Žic, J. Nelson, T. Archer, C. Oses, S. Curtarolo

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 2019
  • Publisher Name Springer, Cham
  • eBook Packages Physics and Astronomy
  • Online ISBN 978-3-319-50257-1
Industry Sectors
Materials & Steel
Chemical Manufacturing
Energy, Utilities & Environment