Scalability strategies for automated reaction mechanism generation

Detailed modeling of complex chemical processes, like pollutant formation during combustion events, remains challenging and often intractable due to tedious and error-prone manual mechanism generation strategies. Automated mechanism generation methods seek to solve these problems but are held back b...

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Bibliographic Details
Main Authors: Jocher, Agnes (Author), Vandewiele, Nick (Author), Han, Kehang (Author), Liu, Mengjie (Author), Gao, Connie Wu (Author), Gillis, Ryan J. (Author), Green Jr, William H (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor)
Format: Article
Language:English
Published: Elsevier BV, 2020-03-25T18:18:26Z.
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