Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW
- Author(s)
- Dorothea Golze, Markus Hirvensalo, Patricia Hernandez-Leon, Anja Aarva, Jarkko Etula, Toma Susi, Patrick Rinke, Tomi Laurila, Miguel A. Caro
- Organisation(s)
- Physics of Nanostructured Materials
- External organisation(s)
- Aalto University, Technische Universität Dresden
- Journal
- Chemistry of Materials
- Volume
- 34
- Pages
- 6240-6254
- No. of pages
- 15
- ISSN
- 0897-4756
- DOI
- https://doi.org/10.1021/acs.chemmater.1c04279
- Publication date
- 2021
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104026 Spectroscopy, 103018 Materials physics
- Keywords
- ASJC Scopus subject areas
- Materials Chemistry, Chemical Engineering(all), Chemistry(all)
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/accurate-computational-prediction-of-coreelectron-binding-energies-in-carbonbased-materials-a-machinelearning-model-combining-densityfunctional-theory-and-gw(b5b6a1c0-0a0c-4cbf-9c07-211c70bb903f).html