Publications of Claudia Draxl

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E. Moerman: Basis set and system size convergence of Equation-of-motion coupled-cluster band gaps for extended systems. Humboldt-Universität zu Berlin

N. Rybin: Band structure renormalization at finite temperatures from first principles. Humboldt-Universität zu Berlin

S. Bi: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. Humboldt Universität zu Berlin

Y. Zhou: Surface Phase Diagrams Including Anharmonic Effects via a Replica-Exchange Grand-Canonical Method. Technische Universität Berlin

S. Kokott: First-principles Investigation of Small Polarons in Metal Oxides. Humboldt Universität Berlin

J. Hermann: Towards unified density-functional model of van der Waals interactions. Humboldt Universität Berlin

L.M. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C.T. Koch, M. Kühbach, A.N. Ladines, P. Lambrix, M.-O.L. Himmer, S.V. Levchenko, M. Oliveira, A. Michalchuk, R. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G.-M. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll and M. Scheffler: Shared Metadata for Data-Centric Materials Science. Scientific Data 10, 626 (2023).