{ "contributor-id" "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "description" "A dropout uncertainty neural network (DUNN) potential model driver, which supports running in both fully-connected mode and dropout mode. The DUNN can be used easily to quantify the uncertainty in atomistic simulations and determine the transferability of potential." "developer" [ "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "360c0aed-48ce-45f6-ba13-337f12a531e8" ] "doi" "10.25950/9573ca43" "domain" "openkim.org" "executables" [ "CreateDispatch.sh" ] "extended-id" "DUNN__MD_292677547454_000" "kim-api-version" "2.0" "maintainer-id" "5ca58a6a-aa46-4e5a-a2e1-b3fc6bc2efa6" "publication-year" "2019" "source-citations" [ { "author" "Wen, Mingjian and Tadmor, Ellad B." "doi" "10.1038/s41524-020-00390-8" "issn" "2057-3960" "issue" "1" "journal" "npj Computational Materials" "recordkey" "MD_292677547454_000a" "recordtype" "article" "title" "Uncertainty quantification in molecular simulations with dropout neural network potentials" "volume" "6" "year" "2020" } ] "title" "A dropout uncertainty neural network (DUNN) model driver v000" }