Welcome to the Knowledgebase of Interatomic Models!

OpenKIM is an online framework for making molecular simulations reliable, reproducible, and portable. Computer implementations of interatomic models are archived in OpenKIM, verified for coding integrity, and tested by computing their predictions for a variety of material properties. Models conforming to the KIM application programming interface (API) work seamlessly with major simulation codes that have adopted the KIM API standard.

"All models are wrong but some are useful."

— George E. P. Box

Models

Click on an element to find interatomic models for that species. You can narrow the selection to models that support multiple species after you click.


News

  • 10-Jan-2019
    New Appointments at the Top
    The KIM project announces changes to the leadership structure with Ryan Elliott as the new KIM Technical Lead, Ronald Miller as the new KIM Editor, and Ellad Tadmor continuing as KIM Director.
  • 08-Jan-2019
    Element of Surprise
    The mysterious new "Sp" element next to hydrogen is the Element of Surprise. See the full news item for a different view on the chemical elements.
  • 08-Jan-2019
    New Look for OpenKIM.org Website
    The openkim.org website has been redesigned to make it easier for users to find information and perform common tasks.


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