“Essentially, all models are wrong, but some are useful.”

George E. P. Box

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Welcome to the Knowledgebase of Interatomic Models

An online resource for standardized testing and long-term warehousing of interatomic models and data. This includes the development of application programming interface (API) standards for coupling atomistic simulation codes and interatomic potential subroutines.


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Current ContentRecent Content Contributors
Models: (loading…)

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Dan Karls (ClusterEnergyAndForces__TD)
Dan Karls (model_ArCHHeXe_BOP_AIREBO__MO)
Alex Alemi (PhononDispersionCurve__TD)
Amit Singh (kcc_model_driver_T_SW)

Latest News

Visit the news archive for all news items

Contact us if you would like to contribute a news item or a new KIM-related publication (see list of publications here).


KIM Symposium at SES 2014 Conference

27-Feb-2014

A symposium titled "Interatomic Models in Materials Simulations: Theory, Standards, Infrastructure, and Applications" focused on the KIM project and related efforts will be held at the Society for Engineering Science (SES) Annual Technical Conference at Purdue University, on October 1-3, 2014 (www.conf.purdue.edu/ses2014).

See more KIM Symposium at SES 2014 Conference


KIM API version 1.4.0 released — new: Fortran 2003 bindings

26-Feb-2014

The KIM development team is pleased to announce the release of version 1.4.0 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes a major update to the api. We have added a complete set of api bindings for Fortran 2003 using the iso_c_binding module. The previous Fortran bindings (using Cray pointers) are now deprecated and will be removed in a future release. All example Model Drivers, Models, and Tests have been updated to take advantage of the new F03 bindings. Additionally, the make system has been updated to be more robust and the documentation has been updated.

See more KIM API version 1.4.0 released — new: Fortran 2003 bindings


Open KIM open for business!

13-Feb-2014

After several years of extensive development, we now have a working website (https://openkim.org) with a repository and a processing pipeline that automatically couples interatomic models (potentials and force fields) and tests (simulations that compute material properties) to generate predictions.

See more Open KIM open for business!


An article on the OpenKIM project published in COSSMS

30-Jan-2014

An article on NSF cyberinfrastructures, which describes the OpenKIM project, has been published in Current Opinion in Solid State & Materials Sciences (COSSMS).

See more An article on the OpenKIM project published in COSSMS


KIM API version 1.3.1 released

20-Jan-2014

The KIM development team is pleased to announce the release of version 1.3.1 of the KIM application programming interface (API). By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. This release includes updates to the make system, bug fixes, better support of CYGWIN systems, portability improvements, and a fix in order to work with gnu make 3.81.

See more KIM API version 1.3.1 released


Updated pair_style kim release in LAMMPS 3Aug13

26-Jul-2013

The KIM development team is please to announce the release of a openkim-api-v1.2.0 compatible version of the LAMMPS pair style kim. The version of pair_style kim is available in the August 3th, 2013 version of lammps (lammps-3Aug13).

See more Updated pair_style kim release in LAMMPS 3Aug13


NSF logo The OpenKIM project is supported by NSF funding.