2009-Present

https://openkim.org/

KIM has the following features: Curated repository of interatomic models (IMs) (potentials and force fields) with comprehensive provenance and version control; Application Programming Interface (API) standards connecting molecular simulation codes (“simulators”) with IMs; Standardized testing framework for archived IMs including their predictions for material properties and checks on their coding integrity. Source and binary distribution framework for easy installation and use of the KIM API and KIM IMs with conforming simulators. Rigorous transferability and uncertainty estimation for KIM IMs based on machine learning approaches to select IMs for target application and providing error bounds on their predictions (under development). he Knowledgebase of Interatomic Models (KIM) project is funded by the National Science Foundation. It was first funded through a four-year grant as part of the Cyber-Enabled Discovery and Innovation (CDI) program, and then through a second grant within the Computational and Data-Enabled Science and Engineering (CDSE) program. The project is currently funded through a DMR CMMT grant. The KIM project acknowledges the support of the Institute for Mathematics and its Applications for a series of OpenKIM Coding Sprints held during the summer of August 2018. The KIM project is led by Prof. Ellad B. Tadmor, Prof. Ryan S. Elliott, and Prof. George Karypis at the University of Minnesota and Prof. Mark Transtrum at Brigham Young University.

Software; Dataset; Test; Model

Computer Science; Materials Science

University of Minnesota and  Brigham Young University, United States of America

National Science Foundation (NSF)

Yes

For an overall citation of the KIM project, use: E. B. Tadmor, R. S. Elliott, J. P. Sethna, R. E. Miller and C. A. Becker, ""The Potential of Atomistic Simulations and the Knowledgebase of Interatomi