R. West, Christopher Blais, E. Hermes, M. Gierada, David Bross, C. Goldsmith, Eric Bylaska, J. Zádor
{"title":"REFINING AUTOMATICALLY GENERATED MICROKINETIC MECHANISMS IN A WORKFLOW.","authors":"R. West, Christopher Blais, E. Hermes, M. Gierada, David Bross, C. Goldsmith, Eric Bylaska, J. Zádor","doi":"10.2172/1890853","DOIUrl":"https://doi.org/10.2172/1890853","url":null,"abstract":"","PeriodicalId":103493,"journal":{"name":"Proposed for presentation at the EFRC-Hub-CMS-CCS PI Meeting held October 18-19, 2021 in online, .","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130136465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
H. Najm, K. Sargsyan, Kyungjoo Kim, C. Goldsmith, Robert West, E. Bylaska, D. Bross, B. Ruscic, C. Safta, J. Zádor, Christopher Blais, Katr�n Bl�ndal, Óscar H. Díaz-Ibarra, E. Hermes, Emily J. Mazeau
{"title":"Exascale Catalytic Chemistry (ECC).","authors":"H. Najm, K. Sargsyan, Kyungjoo Kim, C. Goldsmith, Robert West, E. Bylaska, D. Bross, B. Ruscic, C. Safta, J. Zádor, Christopher Blais, Katr�n Bl�ndal, Óscar H. Díaz-Ibarra, E. Hermes, Emily J. Mazeau","doi":"10.2172/1890393","DOIUrl":"https://doi.org/10.2172/1890393","url":null,"abstract":"","PeriodicalId":103493,"journal":{"name":"Proposed for presentation at the EFRC-Hub-CMS-CCS PI Meeting held October 18-19, 2021 in online, .","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114869681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}