{
  "@type": "dcat:Dataset",
  "accessLevel": "public",
  "accrualPeriodicity": "irregular",
  "bureauCode": [
    "006:55"
  ],
  "contactPoint": {
    "fn": "Harold Hatch",
    "hasEmail": "mailto:harold.hatch@nist.gov"
  },
  "description": "The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.",
  "distribution": [
    {
      "accessURL": "https://doi.org/10.18434/M3S095"
    },
    {
      "accessURL": "https://github.com/usnistgov/feasst",
      "description": "A git repository containing the C++ and python source code for the FEASST software. This software can be downloaded from GitHub.",
      "format": "A GitHub repository",
      "title": "feasst"
    }
  ],
  "identifier": "5D00D811BC74B453E0531A570681BC861875",
  "keyword": [
    "C++",
    "Monte Carlo",
    "flat histogram",
    "free energy",
    "molecular simulation",
    "python"
  ],
  "landingPage": "https://pages.nist.gov/feasst",
  "language": [
    "en"
  ],
  "license": "https://www.nist.gov/open/license",
  "modified": "2017-11-02",
  "programCode": [
    "006:045"
  ],
  "publisher": {
    "@type": "org:Organization",
    "name": "National Institute of Standards and Technology"
  },
  "theme": [
    "Chemistry: Chemical thermodynamics and chemical properties",
    "Chemistry: Theoretical chemistry and modeling",
    "Manufacturing: Biomanufacturing",
    "Materials : Modeling and computational material science",
    "Mathematics and Statistics: Modeling and simulation research",
    "Mathematics and Statistics: Numerical methods and software",
    "Nanotechnology: Nanomaterials",
    "Physics: Biological physics",
    "Physics: Thermodynamics"
  ],
  "title": "FEASST: Free Energy and Advanced Sampling Simulation Toolkit"
}