Published May 9, 2023
| Version v1.0
Dataset
Open
Data for Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties
Authors/Creators
- 1. Brown University
- 2. Karlsruhe Institute of Technology,
- 3. Georgia Institute of Technology
Description
Data for the manuscript "Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties". The data set contains all the generated mechanisms, DFT data used for the construction of the RMG library, a backup of the RMG-database, all results and scripts for the evaluation of the results.