If you are using any content from openkim.org (Models, Tests, Verification Checks, Reference Data) the appropriate citation format and references are given on the item's page accessible throught the browse interface. See also the documentation page for citing KIM items.
For general citation of various aspects of the KIM project, consider the following references:
For an overall citation of the KIM project, use:
For KIM's role as an NSF cyberinfrastructure, use:
For the KIM Application Programming Interface (API) stndard, use:
For KIM contributions to the theory and development of interatomic models, use:
M. Wen, S. M. Whalen, R. S. Elliott and E. B. Tadmor, "Interpolation Effects in Tabulated Interatomic Potentials", Modelling and Simulations in Materials Science and Engineering, 23, 074008 (2015). doi:10.1088/0965-0393/23/7/074008
M. Wen, J. Li, P. Brommer, R. S. Elliott, J. P. Sethna and E. B. Tadmor, "A KIM-Compliant Potfit for Fitting Sloppy Interatomic Potentials: Application to the EDIP Model for Silicon", Modelling and Simulations in Materials Science and Engineering, 25, 014001 (2017). doi:10.1088/0965-0393/25/1/014001