JACS Au
(Aug 2021)
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111)
- Bjarne Kreitz,
- Khachik Sargsyan,
- Katrín Blöndal,
- Emily J. Mazeau,
- Richard H. West,
- Gregor D. Wehinger,
- Thomas Turek,
- C. Franklin Goldsmith
Affiliations
- Bjarne Kreitz
- Institute of Chemical and Electrochemical Process Engineering, Clausthal University of Technology, Clausthal-Zellerfeld, Germany
- Khachik Sargsyan
- Sandia National Laboratories, Livermore, California, United States
- Katrín Blöndal
- School of Engineering, Brown University, Providence, Rhode Island, United States
- Emily J. Mazeau
- Department of Chemical Engineering, Northeastern University, Boston, Massachusetts, United States
- Richard H. West
- Department of Chemical Engineering, Northeastern University, Boston, Massachusetts, United States
- Gregor D. Wehinger
- Institute of Chemical and Electrochemical Process Engineering, Clausthal University of Technology, Clausthal-Zellerfeld, Germany
- Thomas Turek
- Institute of Chemical and Electrochemical Process Engineering, Clausthal University of Technology, Clausthal-Zellerfeld, Germany
- C. Franklin Goldsmith
- School of Engineering, Brown University, Providence, Rhode Island, United States
- DOI
-
https://doi.org/10.1021/jacsau.1c00276
- Journal volume & issue
-
Vol. 1,
no. 10
pp.
1656
– 1673
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