lkit NIST -- National Institute of Standards and Technology, data.nist.gov (Standard Reference / public data, DCAT/NERDm). {"@context":["https://data.nist.gov/od/dm/nerdm-pub-context.jsonld",{"@base":"ark:/88434/mds0085901"}],"_schema":"https://data.nist.gov/od/dm/nerdm-schema/v0.7#","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"],"@type":["nrdp:PublicDataResource","dcat:Dataset"],"@id":"ark:/88434/mds0085901","title":"FEASST: Free Energy and Advanced Sampling Simulation Toolkit","contactPoint":{"hasEmail":"mailto:harold.hatch@nist.gov","fn":"Harold Hatch"},"modified":"2017-11-02","status":"available","ediid":"5D00D811BC74B453E0531A570681BC861875","landingPage":"https://pages.nist.gov/feasst","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."],"keyword":["Monte Carlo","molecular simulation","free energy","flat histogram","C++","python"],"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"],"topic":[{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Physics: Thermodynamics"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Mathematics and Statistics: Numerical methods and software"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Materials: Modeling and computational material science"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Chemistry: Theoretical chemistry and modeling"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Chemistry: Chemical thermodynamics and chemical properties"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Manufacturing: Biomanufacturing"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Mathematics and Statistics: Modeling and simulation research"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Nanotechnology: Nanomaterials"},{"@type":"Concept","scheme":"https://data.nist.gov/od/dm/nist-themes/v1.1","tag":"Physics: Biological physics"}],"accessLevel":"public","license":"https://www.nist.gov/open/license","inventory":[{"forCollection":"","childCount":2,"descCount":2,"byType":[{"forType":"dcat:Distribution","childCount":2,"descCount":2},{"forType":"nrdp:AccessPage","childCount":2,"descCount":2}],"childCollections":[]}],"components":[{"accessURL":"https://github.com/usnistgov/feasst","format":{"description":"A GitHub repository"},"description":"A git repository containing the C++ and python source code for the FEASST software. This software can be downloaded from GitHub.","title":"feasst","@type":["nrdp:AccessPage","dcat:Distribution"],"@id":"#usnistgov/feasst","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/AccessPage"]},{"accessURL":"https://doi.org/10.18434/M3S095","@type":["nrdp:AccessPage","dcat:Distribution"],"@id":"#10.18434/M3S095","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/AccessPage"]}],"publisher":{"@type":"org:Organization","name":"National Institute of Standards and Technology"},"language":["en"],"bureauCode":["006:55"],"programCode":["006:045"],"version":"1.0.0"},