| Title
A single sentence description.
|
Stillinger-Weber Model Driver for Monolayer MX2 systems v001 |
|---|---|
| Description | This is a three-body Stillinger-Weber potential model driver for transition metal dichalcogenide (TMD) monolayers of the form MX_2, with M a transition metal atom (Mo, W etc.) and X a chalcogen atom (S, Se or Te). |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Mingjian Wen |
| Maintainer |
Mingjian Wen |
| Developer |
Mingjian Wen Ellad B. Tadmor Ryan S. Elliott Sharmila N. Shirodkar Petr Plechac Efthimios Kaxiras |
| Published on KIM | 2018 |
| How to Cite |
This Model Driver originally published in [1] is archived in OpenKIM [2-4]. [1] Wen M, Shirodkar SN, Plecháč P, Kaxiras E, Elliott RS, Tadmor EB. A force-matching Stillinger-Weber potential for MoS_2: Parameterization and Fisher information theory based sensitivity analysis. Journal of Applied Physics. 2017;122(24):244301. doi:10.1063/1.5007842 [2] Wen M, Tadmor EB, Elliott RS, Shirodkar SN, Plechac P, Kaxiras E. Stillinger-Weber Model Driver for Monolayer MX2 systems v001. OpenKIM; 2018. doi:10.25950/7d664757 [3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a Click here to download the above citation in BibTeX format. |
| Funding |
Award Title: Multiscale Mathematical Modeling and Design Realization of Novel 2D Functional Materials Award Number: W911NF-14-1-0247 Funder: Army Research Office Award Title: CDI-Type II: The Knowledge-Base of Interatomic Models (KIM) Award Number: PHY-0941493 Award URI: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0941493 Funder: National Science Foundation Award Title: CDS&E: Systematic Multiscale Modeling using the Knowledgebase of Interatomic Models (KIM) Award Number: DMR-1408211 Award URI: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1408211 Funder: National Science Foundation Award Title: XSEDE: eXtreme Science and Engineering Discovery Environment Award Number: ACI-1053575 Award URI: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1053575 Funder: National Science Foundation |
| Short KIM ID
The unique KIM identifier code.
| MD_242389978788_001 |
| Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
| SW_MX2__MD_242389978788_001 |
| DOI |
10.25950/7d664757 https://doi.org/10.25950/7d664757 https://commons.datacite.org/doi.org/10.25950/7d664757 |
| KIM Item Type | Model Driver |
| KIM API Version | 2.0 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 97.26% C++ 2.74% Shell |
| Previous Version | SW_MX2__MD_242389978788_000 |
| SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000 |
| SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 |
| SW_MX2__MD_242389978788_001.txz | Tar+XZ | Linux and OS X archive |
| SW_MX2__MD_242389978788_001.zip | Zip | Windows archive |