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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