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


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.

  • 05-Mar-2019
    KIM is hiring!
    The KIM project is seeking an exceptional computational scientist for basic research and infrastructure development to shape the future of molecular simulation.
  • 06-Feb-2019
    kim-api-v2-2.0.0 released!
    The KIM development team is very happy to announce the official release the KIM API V2 package! See the documentation.
  • 20-Jan-2019
    KIM Now Issuing DOIs for Interatomic Models (and other KIM items)
    KIM has become a member of the DOI registration agency DataCite and now issues DOIs (citeable persistent identifiers) to all interatomic models (and other KIM items) uploaded to openkim.org at no charge. Developers are encouraged to take advantage of this opportunity, and researchers are encouraged to provide a DOI citation in their work when using an interatomic model.

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