{"@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://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"}, {"accessURL": "https://doi.org/10.18434/M3S095"}], "identifier": "5D00D811BC74B453E0531A570681BC861875", "keyword": ["Monte Carlo", "molecular simulation", "free energy", "flat histogram", "C++", "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": ["Physics: Thermodynamics", "Mathematics and Statistics: Numerical methods and software", "Materials : Modeling and computational material science", "Chemistry: Theoretical chemistry and modeling", "Chemistry: Chemical thermodynamics and chemical properties", "Manufacturing: Biomanufacturing", "Mathematics and Statistics: Modeling and simulation research", "Nanotechnology: Nanomaterials", "Physics: Biological physics"], "title": "FEASST: Free Energy and Advanced Sampling Simulation Toolkit"}