OpenKIM — Knowledgebase of Interatomic Models

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Databases

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Abstract

OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.

Please note that OpenKIM is a multifaceted project and, thus, the term OpenKIM refers to Web portal, model and data repository as well as the processing pipeline.

The OpenKIM project is being developed in collaboration with NIST and is closely related to NIST IPRP. For more details on this collaboration and relations between OpenKIM and IPRP, please see this webpage.

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References

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Publications

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Cite this work

Researchers should cite this work as follows:

  • Please see relevant section on the linked website.
  • (2017), "OpenKIM — Knowledgebase of Interatomic Models," https://matin.gatech.edu/resources/183.

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Submitter

Aleksandr Blekh

Georgia Institute of Technology

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