Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

  • News & Views
  • Published:

Computational materials science

Trustworthy predictions

A method has been developed to compute the precise quantum-mechanical properties of certain insulators. This approach avoids the uncertainties that are intrinsic to predictions made using existing approaches. See Article p.365

This is a preview of subscription content, access via your institution

Access options

Buy this article

Prices may be subject to local taxes which are calculated during checkout

Notes

  1. *This article and the paper under discussion1 were published online on 19 December 2012.

References

  1. Booth, G. H., Grüneis, A., Kresse, G. & Alavi, A. Nature 493, 365–370 (2013).

    Article  ADS  CAS  PubMed Central  Google Scholar 

  2. Martin, R. M. Electronic Structure: Basic Theory and Practical Methods (Cambridge Univ. Press, 2004).

    Book  Google Scholar 

  3. Cohen, A. J., Mori-Sánchez, P. & Yang, W. Science 321, 792–794 (2008).

    Article  ADS  CAS  PubMed Central  Google Scholar 

  4. Booth, G. H., Thom, A. J. W. & Alavi, A. J. Chem. Phys. 131, 054106 (2009).

    Article  ADS  PubMed Central  Google Scholar 

  5. Booth, G. H. & Chan, G. K.-L. J. Chem. Phys. 137, 191102 (2012).

    Article  ADS  PubMed Central  Google Scholar 

  6. López-Ríos, P., Ma, A., Drummond, N. D., Towler, M. D. & Needs, R. J. Phys. Rev. E 74, 066701 (2006).

    Article  ADS  Google Scholar 

  7. Purwanto, W., Krakauer, H. & Zhang, S. Phys. Rev. B 80, 214116 (2009).

    Article  ADS  Google Scholar 

  8. Pickard, C. J. & Needs, R. J. Nature Mater. 7, 775–779 (2008).

    Article  ADS  CAS  Google Scholar 

  9. Ma, Y. et al. Nature 458, 182–185 (2009).

  10. Pickard, C. J. & Needs, R. J. Nature Mater. 9, 624–627 (2010).

    Article  ADS  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Paul R. C. Kent.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kent, P. Trustworthy predictions. Nature 493, 314–315 (2013). https://doi.org/10.1038/nature11767

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1038/nature11767

Search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing