Open Knowledgebase of Interatomic Models

OpenKIM is a member of DataCite[4] and provides unique DOIs (Digital object identifier) for all archived content on the site (fitted models, validation tests, etc.)

The NSF actively supports the development of software and cyberinfrastructure that enable the documentation and distribution of this type of critical data or promote open and accessible science as part of the national Materials Genome Initiative (MGI).

In solicitations related to the MGI,[6] researchers are encouraged to "leverage existing cyberinfrastructures wherever appropriate and possible," including OpenKIM, The Materials Project[7] and XSEDE[8] OpenKIM provides tools for accessing the models and calculations stored in the OpenKIM repository, including the KIM API to allow applications that support the API to gain access to all of the data in a programmatic manner.

[12] OpenKIM has been directly integrated into various prominent molecular modelling and potential fitting software including LAMMPS,[13] ASE, DL_POLY, GULP, and potfit, and is recognized in the molecular modelling community as being a critical step towards improving accessibility and reproducibility in the field.

OpenKIM is a founding member of the Materials Science Community Forum,[16] a community-led effort to promote open communication and collaboration in computational materials science and to support users of many of the main scientific software packages used in the field.