NIST Interatomic Potentials Repository
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.
Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| bureauCode |
[
"006:55"
]
|
| contactPoint |
{
"fn": "Lucas Hale",
"@type": "vcard:Contact",
"hasEmail": "mailto:lucas.hale@nist.gov"
}
|
| description | 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. |
| distribution |
[
{
"title": "Interatomic Potentials Repository Project",
"accessURL": "http://www.ctcms.nist.gov/potentials",
"mediaType": "text/html"
},
{
"title": "DOI Access to NIST Interatomic Potentials Repository",
"format": "text/html",
"accessURL": "https://doi.org/10.18434/m37",
"description": "DOI Access to NIST Interatomic Potentials Repository"
}
]
|
| identifier | EBC9DB05EDF05B0EE043065706812DF87 |
| keyword |
[
"force fields",
"integrated computational materials engineering",
"interatomic potentials",
"materials",
"materials genome initiative",
"materials modeling",
"materials science",
"molecular dynamics",
"molecular simulation"
]
|
| landingPage | https://data.nist.gov/od/id/EBC9DB05EDF05B0EE043065706812DF87 |
| language |
[
"en"
]
|
| license | https://www.nist.gov/open/license |
| modified | 2016-02-25 00:00:00 |
| programCode |
[
"006:052"
]
|
| publisher |
{
"name": "National Institute of Standards and Technology",
"@type": "org:Organization"
}
|
| references |
[
"https://dx.doi.org/10.1016/j.cossms.2013.10.001"
]
|
| theme |
[
"Materials:Modeling and computational material science"
]
|
| title | NIST Interatomic Potentials Repository |
