Publications
This page provides a list of peer-reviewed articles that have made use of DScribe as a part of the scientific process. The list is non-comprehensive and you can contact us if you think a publication should be included.
2020
Marc Philipp Bahlke, Natnael Mogos, Jonny Proppe, and Carmen Herrmann. Exchange spin coupling from gaussian process regression. The Journal of Physical Chemistry A, 2020. doi:10.1021/acs.jpca.0c05983.
2019
Annika Stuke, Milica Todorović, Matthias Rupp, Christian Kunkel, Kunal Ghosh, Lauri Himanen, and Patrick Rinke. Chemical diversity in molecular orbital energy predictions with kernel ridge regression. The Journal of Chemical Physics, 150(20):204121, 2019. doi:10.1063/1.5086105.