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Accurate Computational Prediction of Core-Electron Binding ..:
Golze, Dorothea
;
Hirvensalo, Markus
;
Hernández-León, Patricia
...
info:eu-repo/grantAgreement/EC/H2020/756277/EU//ATMEN Funding Information: The authors acknowledge funding from the Academy of Finland under Projects 316168 (D.G.), 334532 (P.R.), 310574, 329483, 330488 (M.A.C.), and 321713 (M.A.C. and P.H.-L.) and from their flagship program Finnish Center for Artificial Intelligence (FCAI), from the Emmy Noether Programme of the German Research Foundation under Project Number 453275048 (D.G.), from COST action CA18234, and from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Programme, under Grant Agreement No. 756277-ATMEN (T.S.). Computing time from CSC–IT Center for Science, allocated for the Grand Challenge Project XPEC, is gratefully acknowledged. Part of this work was carried out during a HPC-Europa3 mobility exchange (Horizon 2020 Program under Grant Agreement 730897). We thank V.L. Deringer for providing the a-CO structural models used in this study. x Publisher Copyright:.... , 2022
Link:
https://aaltodoc.aalto.fi/handle/123456789/116174
RT Journal T1
Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW
UL https://suche.suub.uni-bremen.de/peid=base-ftaaltouniv:oai:aaltodoc.aalto.fi:123456789_116174&Exemplar=1&LAN=DE A1 Golze, Dorothea A1 Hirvensalo, Markus A1 Hernández-León, Patricia A1 Aarva, Anja A1 Etula, Jarkko A1 Susi, Toma A1 Rinke, Patrick A1 Laurila, Tomi A1 Caro, Miguel A PB AMERICAN CHEMICAL SOCIETY YR 2022 JF info:eu-repo/grantAgreement/EC/H2020/756277/EU//ATMEN Funding Information: The authors acknowledge funding from the Academy of Finland under Projects 316168 (D.G.), 334532 (P.R.), 310574, 329483, 330488 (M.A.C.), and 321713 (M.A.C. and P.H.-L.) and from their flagship program Finnish Center for Artificial Intelligence (FCAI), from the Emmy Noether Programme of the German Research Foundation under Project Number 453275048 (D.G.), from COST action CA18234, and from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Programme, under Grant Agreement No. 756277-ATMEN (T.S.). Computing time from CSC–IT Center for Science, allocated for the Grand Challenge Project XPEC, is gratefully acknowledged. Part of this work was carried out during a HPC-Europa3 mobility exchange (Horizon 2020 Program under Grant Agreement 730897). We thank V.L. Deringer for providing the a-CO structural models used in this study. x Publisher Copyright:... LK http://dx.doi.org/https://aaltodoc.aalto.fi/handle/123456789/116174 DO https://aaltodoc.aalto.fi/handle/123456789/116174 SF ELIB - SuUB Bremen
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