OpenKIM Explorer

By Dan Karls1; Benjamin P Haley2; Alejandro Strachan2; Ryan S Elliott1; Ellad B Tadmor1

1. University of Minnesota 2. Purdue University

Run interatomic potentials from the OpenKIM Repository in LAMMPS

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Version 1.2 - published on 07 Dec 2018

doi:10.21981/FQCH-MQ44 cite this

This tool is closed source.

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Tools

Published on

Abstract

Explore the interatomic potentials provided by the OpenKIM Repository (openkim.org) by running them with your own LAMMPS script and comparing the results.

 

Versions

1.2 Made the OpenKIM download more robust

1.1 Removed restriction on Model versions

1.0 Initial release

Sponsored by

The development of this tool was by graciously supported by the National Science Foundation (NSF) under grant Nos. PHY-0941493 and DMR-1408211.

Cite this work

Researchers should cite this work as follows:

  • Dan Karls, Benjamin P Haley, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor (2018), "OpenKIM Explorer," https://nanohub.org/resources/kimexplorer. (DOI: 10.21981/FQCH-MQ44).

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Tags

  1. interatomic potentials
  2. LAMMPS
  3. materials science
  4. molecular dynamics (MD)
  5. nanoelectronics
  6. NCN Group - Materials Science
  7. OpenKIM