Method scaling relations

Method scaling relations

At SUNCAT, one of our newest focus areas involves a new category of correlations. Apart from comparing different properties or different systems, we are now also searching for correlations between the same systems and properties but measured using different methods. An obvious example of this, is the comparison of calculated vs experimentally measured observables. But it could also be correlations between two calculated results performed at different levels of theory.

Publications

Displaying 1 - 13 of 13

Jens S. Hummelshøj, Alan C. Luntz, Jens K. Nørskov. The Journal of Chemical Physics, 138, 34703. 2013.
Charlie Tsai, Karen Chan, Jens K. Nørskov, Frank Abild-Pedersen. Journal of Physical Chemistry Letters, 5, 3884-3889. 2014.
Andrew J. Medford, Chuan Shi, Max J. Hoffmann, Adam C. Lausche, Sean R. Fitzgibbon, Thomas Bligaard, Jens K. Nørskov. Catalysis Letters, 145, 794-807. 2015.
Samira Siahrostami, Charlie Tsai, Mohammadreza Karamad, Ralph Koitz, Max García-Melchor, Michal Bajdich, Aleksandra Vojvodic, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. Catalysis Letters, 46, 1917-1921. 2016.
Rune Christensen, Heine A. Hansen, Colin F. Dickens, Jens K. Nørskov , Tejs Vegge. The Journal of Physical Chemistry C, 120, 24910-24916. 2016.
Liang Yu, Frank Abild-Pedersen. ACS Catalysis, 7, 864-871. 2017.
Zachary W. Ulissi, Andrew J. Medford, Thomas Bligaard, Jens K. Nørskov. Nature Communications
Mie Andersen, Andrew J. Medford, Jens K. Nørskov, Karsten Reuter. ACS Catalysis, 7, 3960-3967. 2017.
Robert Sandberg , Martin H. Hansen, Jens K. Nørskov , Frank Abild-Pedersen, Michal Bajdich. ACS Catalysis, 8, 10555. 2018.
Colin F. Dickens, Joseph H Montoya, Ambarish R Kulkarni, Michal Bajdich, Jens K. Nørskov . Surface Science, 681, 122. 2019.
Colin F. Dickens, Charlotte Kirk, Jens K. Nørskov. Journal of Physical Chemistry C, 123, 18960-18977. 2019.
Michael T. Tang, Hongjie Peng, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen. Applied Catalysis B: Environmental, 279, 119384. 2020.
Sudarshan Vijay, Hendrik Heenen, Aayush Singh, Karen Chan, Johannes Voss. Journal of Computational Chemistry. 2023.