{
  "@type": "dcat:Dataset",
  "accessLevel": "public",
  "accrualPeriodicity": "irregular",
  "bureauCode": [
    "006:55"
  ],
  "contactPoint": {
    "fn": "In Jun Park",
    "hasEmail": "mailto:injun.park@nist.gov"
  },
  "description": "The chipstb repository is a Python-based automation suite designed to systematically benchmark tight-binding electronic structure models (such as DFTB, TB3PY, and SlaKoNet) against high-accuracy Density Functional Theory (DFT) and experimental reference data. Built upon the JARVIS-Tools infrastructure, the code manages the complete workflow of retrieving crystal structures, executing semi-empirical calculations, and computing statistical error metrics for key properties like bandgaps and bulk moduli.",
  "distribution": [
    {
      "accessURL": "https://github.com/usnistgov/chipstb",
      "description": "A computational framework (CHIPS-TB) for evaluating and comparing tight-binding parameterizations across diverse material systems relevant to semiconductor design, focusing on properties such as electronic bandgaps, band structures, and bulk modulus.",
      "format": "Python source code",
      "title": "CHIPS-TB"
    }
  ],
  "identifier": "ark:/88434/mds2-4073",
  "issued": "2026-04-15",
  "keyword": [
    "Benchmarking",
    "Semiconductor",
    "Tight-binding model"
  ],
  "landingPage": "https://data.nist.gov/od/id/mds2-4073",
  "language": [
    "en"
  ],
  "license": "https://www.nist.gov/open/license",
  "modified": "2025-12-01 00:00:00",
  "programCode": [
    "006:045"
  ],
  "publisher": {
    "@type": "org:Organization",
    "name": "National Institute of Standards and Technology"
  },
  "references": [
    "https://doi.org/10.1021/acs.jpcc.5c08042"
  ],
  "theme": [
    "Materials:Modeling and computational material science"
  ],
  "title": "A computational framework (CHIPS-TB) for evaluating and comparing tight-binding parameterizations across diverse material systems relevant to semiconductor design, focusing on properties such as electronic bandgaps, band structures, and bulk modulus."
}