Adding New Content to KIM

All content on openkim.org 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 (click to join), and then you can:

Contribute a Model

Interatomic models uploaded to openkim.org may or may not be compatible with the KIM API. Models can also be stored in the NIST Interatomic Potential Repository in addition to openkim.org if desired. KIM-compliant models will be mated with KIM Tests to compute property predictions. (Support for non-KIM-compliant models, aka Simulator Models is coming soon.)

  • For Models that are designed to leverage an existing Model Driver (i.e. a Parametrized Model), the upload process is as simple as providing the parameter file(s) through an online form. (An example is a tabulated EAM potential that works with the Dynamo/LAMMPS EAM driver.)

  • Stand-alone Models and Model Drivers must conform to the KIM API. The KIM project is currently actively working with developers to adapt their interatomic potential codes to be KIM-compliant. If you are interested in pursuing this, either for your own software or for an existing project, please contact us. Contributions are uploaded as tarballs conforming to a required format. When you are ready to upload, click here.

Contribute a Test

Similar to Models and Model Drivers, Tests and Test Drivers can be stand-alone programs that conform to the KIM API. However, a simpler approach is to create a Test or Test Driver as an input file to either ASE, or LAMMPS which are currently installed on the worker virtual machines (VMs) of the Processing Pipeline. For details, see the Introduction to KIM Tests. Contributions are uploaded as tarballs conforming to a required format. When you are ready to upload:

Contribute a Property Definition

KIM Property Definitions are formal schema defining the structure of KIM properties computed by KIM Tests. For a detailed explanation, see the KIM Properties Framework. Contributions require the Property Definition in EDN format and an associated Property Synopsis (HTML template for displaying results for this property). When you are ready to upload:

Contribute Reference Data

OpenKIM archives experimental and first principles reference data. This information is used to evaluate the predictions of interatomic models in the OpenKIM Repository, for example by comparing results in visualizers. Contributions are uploaded as tarballs conforming to a required format. When you are ready to upload:

Contribute a Visualizer

The visualization system has been created with user-extendability in mind. A visualizer works by first performing a query to the KIM Repository using a simplified interface to the KIM Query API, and then presenting the results in visual form. The current system for creating these plots is based on the C3.js JavaScript library, which allows seamless integration of dynamic interactivity. If you have questions regarding visualizers or are interested in developing your own, contact us.