{"id":34045,"identifier":"JUELICH-DATA/UDIDUG","persistentUrl":"https://doi.org/10.26165/JUELICH-DATA/UDIDUG","protocol":"doi","authority":"10.26165","publisher":"Jülich DATA","publicationDate":"2025-08-07","storageIdentifier":"s3://10.26165/JUELICH-DATA/UDIDUG","datasetVersion":{"id":895,"datasetId":34045,"datasetPersistentId":"doi:10.26165/JUELICH-DATA/UDIDUG","storageIdentifier":"s3://10.26165/JUELICH-DATA/UDIDUG","versionNumber":1,"versionMinorNumber":1,"versionState":"RELEASED","lastUpdateTime":"2025-09-10T07:37:59Z","releaseTime":"2025-09-10T07:37:59Z","createTime":"2025-09-09T08:52:31Z","license":"CC0","termsOfUse":"CC0 Waiver","fileAccessRequest":false,"metadataBlocks":{"citation":{"displayName":"Citation Metadata","fields":[{"typeName":"title","multiple":false,"typeClass":"primitive","value":"CAABA/MECCA model output for evaluating optimized step size control in Rosenbrock solvers for stiff ODEs"},{"typeName":"author","multiple":true,"typeClass":"compound","value":[{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Dreger, Raphael"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich (ICE-3)"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"https://orcid.org/0009-0004-6269-4025"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Dreger, Raphael"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Forschungszentrum Jülich (ICE-3)"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"r.dreger@fz-juelich.de"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"The dataset contains CAABA/MECCA simulations that were done to analyze the step size control of a rosenbrock solver for stiff chemical ordinary differential equations. Multiple 12 hour simulations were done with different controller settings for 3 scenarios with different starting concentrations, emphasizing different aspects of the chemical mechanism."}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Chemistry","Computer and Information Science","Earth and Environmental Sciences","Mathematical Sciences"]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"Dreger, Raphael, et al. “Optimized Step Size Control within the Rosenbrock Solvers for Stiff Chemical Ordinary Differential Equation Systems in KPP Version 2.2.3_rs4.” Geoscientific Model Development, vol. 18, no. 13, 15 July 2025, pp. 4273–4291, https://doi.org/10.5194/gmd-18-4273-2025."},"publicationIDType":{"typeName":"publicationIDType","multiple":false,"typeClass":"controlledVocabulary","value":"doi"},"publicationIDNumber":{"typeName":"publicationIDNumber","multiple":false,"typeClass":"primitive","value":"10.5194/gmd-18-4273-2025"},"publicationURL":{"typeName":"publicationURL","multiple":false,"typeClass":"primitive","value":"https://doi.org/10.5194/gmd-18-4273-2025"}}]},{"typeName":"depositor","multiple":false,"typeClass":"primitive","value":"Dreger, Raphael"},{"typeName":"dateOfDeposit","multiple":false,"typeClass":"primitive","value":"2025-08-04"}]},"fzj":{"displayName":"FZJ Metadata","fields":[{"typeName":"institute","multiple":true,"typeClass":"controlledVocabulary","value":["ICE-3"]},{"typeName":"pof4","multiple":true,"typeClass":"controlledVocabulary","value":["Air Quality (POF4-2111)"]}]}},"files":[{"description":"CAABA/MECCA simulation output","label":"manuscript_output.zip","restricted":false,"version":1,"datasetVersionId":895,"dataFile":{"id":34046,"persistentId":"","pidURL":"","filename":"manuscript_output.zip","contentType":"application/zip","filesize":60472869,"description":"CAABA/MECCA simulation output","storageIdentifier":"s3://juelich_data:1987413cfe7-0d2a27c54aba","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"be0f818972c817e6ab3162855d15474feed677bc6371366684091e35a153f7b5"},"creationDate":"2025-08-04"}}],"citation":"Dreger, Raphael, 2025, \"CAABA/MECCA model output for evaluating optimized step size control in Rosenbrock solvers for stiff ODEs\", https://doi.org/10.26165/JUELICH-DATA/UDIDUG, Jülich DATA, V1"}}