Public Data Resource

NIST Interatomic Potentials Repository

Part of the CHIPS METIS Data Collection

Contact: Lucas Hale.

Identifier: doi:10.18434/m37

Version: 1.0...

This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. Users are encouraged to download and use interatomic potentials, with proper acknowledgement, and developers are welcome to contribute potentials for inclusion. The files provided have been submitted or vetted by their developers and appropriate references are provided. All classes of potentials (e.g., MEAM, ADP, COMB, Reax, EAM, etc.) and materials are welcome. Interatomic potentials and/or related files are currently available for various metals, semiconductors, oxides, and carbon-containing systems.

Research Areas

CHIPS Metrology: Metrology: Computational Technique: SimulationMaterials Research: SemiconductorMaterials Research: Device MaterialMaterials Research: Dielectric and InsulatorMetrology: Grand Challenge: 4-Modeling and Simulating Semiconductor Materials, Designs, and Components

Keywords: force fieldsintegrated computational materials engineeringinteratomic potentialsmaterials genome initiativematerials modelingShow more...

These data are public.

Data and related material can be found at the following locations:

Interatomic Potentials Repository Project

Becker, C. A., Tavazza, F., Trautt, Z. T., & Buarque de Macedo, R. A. (2013). Considerations for choosing and using force fields and interatomic potentials in materials science and engineering. Current Opinion in Solid State and Materials Science, 17(6), 277â283. doi:10.1016/j.cossms.2013.10.001

https://dx.doi.org/10.1016/j.cossms.2013.10.001

Version: 1.0...

This dataset is part of the CHIPS METIS Data Collection.

Cite this dataset

Lucas Hale (2016), NIST Interatomic Potentials Repository, National Institute of Standards and Technology, https://doi.org/10.18434/m37 (Accessed 2025-05-10)

Repository Metadata

Machine-readable descriptions of this dataset are available in the following formats:

NERDm

Access Metrics

Metrics data is not available for all datasets, including this one. This may be because the data is served via servers external to this repository.