Learn More

KIM is an exciting multifaceted project.

  • If you are new to KIM, we encourage you to start by reading the Getting Started with KIM Guide that describes the overall project objectives.
  • To find out about new developments, job openings, and events visit our News Center.
  • If you have questions, please Contact Us.

Become a Member

We encourage you to Become a Member of and make your voice heard. Participation is free and open to everyone. There are many benefits:

  • Contribute new content (models, properties, tests, data, visualizers) to
  • Post to forums on issues related to atomistic simulation of materials and KIM and to wikis associated with KIM content.
  • Vote to elect KIM Board members and on referenda related to molecular simulations standards.

Define Standards

At its heart, KIM is about developing standards for performing high quality reproducible atomistic simulations of materials. You can be part of developing standards for the field. Please Contact Us and let us know what you would like to do:

  • Help define new properties: Defining material properties requires a deep scientific understanding of the properties in question. Please share your expertise with us and help us define properties related to your area of specialization.
  • Help develop the KIM API: A major part of the KIM project involves the development of an application programming interface (API) standard for atomistic simulations, which will allow any interatomic model to work seamlessly with any atomistic simulation code. The KIM API is written in C++. People with expertise in API and systems programming are encouraged to participate.

Contribute Content

All content on is open source and uploaded by researchers from the atomistic simulation community for the benefit of their colleagues. You need to be a KIM Member, and then you can:

  • Contribute a Model: interatomic potential or force field. Models uploaded to may or may not be compatible with the KIM API. Models can also be stored in the NIST Interatomic Potential Repository in addition to if desired. KIM-compliant models will be mated with KIM Tests to compute property predictions.
  • Contribute a Property: formal definitions of material properties. Properties are stored in a standard format defined here.
  • Contribute a Test: standardized calculation of a material property. Tests can be stand-alone programs or input files to supported simulators. See the Getting Started with KIM Guide for information on how to write KIM Tests.
  • Contribute Reference Data: experimental or first principles data for a material property. The predictions of interatomic models can be compared to these values.

Help Document

Every item of KIM Content (model, property, test, reference data, visualizer) is associated with a wiki. The purpose of these wikis is to document and provide a forum for discussing each KIM Item. We greatly need your help with documentation! Become a KIM Member and help us document:

  • Pick an Item: Take me to the index so that I can find content that I can help document (e.g. my experience with an interatomic model).
  • Contact Us: We will help you find content that we need to document that fits with your background.