OpenKIM is a curated knowledgebase and repository for interatomic models used in atomistic simulations. It brings together conventional and machine-learning interatomic potentials and force fields, helping researchers find and apply suitable models. Through the KIM API, its models can work with many major simulation codes, including LAMMPS, ASE, DL_POLY, and GULP.

The project verifies models for coding integrity and benchmarks them against material properties using its Crystal Genome technology. OpenKIM also provides tools to search and query its repository, explore materials and property definitions, obtain models, and access documentation and examples for using and citing KIM content. Developers can contribute models and other resources, while the KIM Developer Platform supports model development.

Additional offerings include test drivers, reference material data, verification checks, a Docker image, a forum, and a Binder sandbox. Supported by the U. S.

National Science Foundation, OpenKIM serves the materials research community by making model discovery, evaluation, and integration more accessible