Accurate computational prediction of core-electron binding energies in carbon-based materials: A machine-learning model combining density-functional theory and $\boldsymbol{GW}$

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Authors: Dorothea Golze; Markus Hirvensalo; Patricia Hernández-León; Anja Aarva; Jarkko Etula; Toma Susi; Patrick Rinke; Tomi Laurila; Miguel A. Caro

Journal title: Chemistry of Materials

Journal number: 34

Journal publisher: American Chemical Society

Published year: 2022

Published pages: 6240–6254

DOI identifier: 10.1021/acs.chemmater.1c04279

ISSN: 0897-4756