Welcome to the Open Knowledgebase of Interatomic Models! OpenKIM is a curated repository of interatomic potentials and analytics for making classical molecular simulations of materials reliable, reproducible, and accessible. Content on OpenKIM is open source and freely available. Read more
OpenKIM is funded by the NSF.
OpenKIM is an interatomic potential (IP) repository and an online framework for making molecular simulations reliable, reproducible, and portable. Computer implementations of interatomic models are archived in OpenKIM, verified for coding integrity, and tested by computing their predictions for a variety of material properties. Models conforming to the KIM application programming interface ( API ) work seamlessly with major simulation codes that have adopted the KIM API standard.
Materials Science Community Discourse
alexalemi.com
ColabFit - Informatics for Advanced Materials and Chemistry
ASAP - As Soon As Possible — ASAP3
KIM INITIATIVE
KLIFF 0.4.3 documentation
Atomistic tools: potential comparison
kim-api: Table of Contents