About KIM

Established in 2009, the Knowledgebase of Interatomic Models (KIM) project is a cyberinfrastructure project funded by the NSF aimed at improving the reliability of molecular simulations. It has the following main objectives:

  • Development of an online open resource for standardized testing and long-term warehousing of interatomic models (potentials and force fields) and data.

  • Development of an application programming interface (API) standard for moleculer simulations, which will allow any interatomic model to work seamlessly with any molecular simulation code.

  • Development of a quantitative theory of transferability of interatomic models to provide guidance for selecting application-appropriate models based on rigorous criteria, and error bounds on results.

  • Planning for the permanence of the KIM project, including development of a sustainability plan, and establishment of a long-term home for storing and maintaining its contents.

If you are new to KIM, start by reading the Getting Started Guide, which provides a brief overview of the main capabilities of the KIM framework and how to use them. You can also view an "Overview of the KIM Project," an online talk by Prof. Ellad B. Tadmor.