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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).
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
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.
Extended KIM ID
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DOI 10.25950/7d664757
KIM Item TypeModel Driver
KIM API Version2.0
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
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