articlenpj Computational MaterialsNov 12, 2020GOLD OA

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

KCKamal ChoudharyKFKevin F. GarrityACAndrew C. E. ReidBDBrian DeCostAJAdam J. Biacchi

National Institute of Standards and Technology · Theiss Research · +14 more institutions

Indexed inarxivcrossrefdoaj

Abstract

Abstract The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and…

Citation impact

473
total citations
FWCI
13.93
Percentile
100%
References
63
Citations per year

Authors

28
  • KC
    Kamal ChoudharyCorresponding

    National Institute of Standards and Technology, Theiss Research, Material Measurement Laboratory, University of Maryland, College Park

  • KF
    Kevin F. Garrity

    National Institute of Standards and Technology, Material Measurement Laboratory

  • AC
    Andrew C. E. Reid

    National Institute of Standards and Technology, Material Measurement Laboratory

  • BD
    Brian DeCost

    National Institute of Standards and Technology, Material Measurement Laboratory

  • AJ
    Adam J. Biacchi

    National Institute of Standards and Technology, Physical Measurement Laboratory

Topics & keywords

Topics
Keywords
  • Workflow
  • Joint (building)
  • Variety (cybernetics)
  • Scripting language
  • Toolbox
  • Development (topology)
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