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\begin{itemize}
\section*{Papers}

\subsection*{International Journals}

\item[1] ``Computational screening of materials with extreme gap deformation potentials'', P. Borlido, J. Schmidt, H.-C. Wang, S. Botti, M.\,A.\,L. Marques, npj Comput. Mater. \textbf{8}, 156 (2022).

\item[2] ``Prediction and Characterization of Graphitic Structures at Diamond Grain Boundaries'', L. Sun, M.\,A.\,L. Marques, S. Botti, J. Phys. Chem. C \textbf{126}, 15019-15029 (2022).

\item[3] ``Superconductivity in antiperovskites'', N. Hoffmann, T.\,F.\,T. Cerqueira, J. Schmidt, M.\,A.\,L. Marques, npj Comput. Mater. \textbf{8}, 150 (2022).

\item[4] ``Many recent density functionals are numerically unstable'', S. Lehtola, M.\,A.\,L. Marques, J. Phys. Chem. \textbf{157}, 174114 (2022).

\item[5] ``Machine-learning correction to density-functional crystal structure optimization'', R. Hussein, J. Schmidt, T. Barros, M.\,A.\,L. Marques, and Silvana Botti, MRS Bull. \textbf{47}, 765-771 (2022).

\item[6] ``Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: a benchmark study'', A. Ghosh, S. Jana, T. Rauch, F. Tran, M.\,A.\,L. Marques, S. Botti, L.\,A. Constantin, M.\,K. Niranjan, P. Samal, J. Chem. Phys. \textbf{157}, 124108 (2022).

\item[7] ``Impact of electron correlation on the light-induced demagnetization of elemental ferromagnetic metals'', T. Barros, N. Tancogne-Dejean, J. Berakdar, M.\,A.\,L.Eu Marques, Eur. Phys. J. B \textbf{95}, 175 (2022).

\item[8] ``Roadmap on Machine Learning in Electronic Structure'', H. Kulik, T. Hammerschmidt, J. Schmidt, S. Botti, M.\,A.\,L. Marques, M. Boley, M. Scheffler, M. Todorović, P. Rinke, C. Oses, A. Smolyanyuk, S. Curtarolo, A. Tkatchenko, A. Bartok, S. Manzhos, M. Ihara, T. Carrington, J. Behler, O. Isayev, M. Veit, A. Grisafi, J. Nigam, M. Ceriotti, K.\,T. Schütt, J. Westermayr, M. Gastegger, R. Maurer, B. Kalita, K. Burke, R. Nagai, R. Akashi, O. Sugino, J. Hermann, F. Noé, S. Pilati, C. Draxl, M. Kuban, S. Rigamonti, M. Scheidgen, M. Esters, D. Hicks, C. Toher, P. Balachandran, I. Tamblyn, S. Whitelam, C. Bellinger, and L.\,M. Ghiringhelli, Electron. Struct. \textbf{4}, 023004 (2022).

\item[9] ``A new dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals'', J. Schmidt, H.-C. Wang, T.\,F.\,T. Cerqueira, S. Botti, and M.\,A.\,L. Marques, Sci. Data \textbf{9}, 64 (2022).

\item[10] ``Superconductivity in S-rich phases of lanthanum sulfide under high pressure'', K. Gao, W. Cui, Q. Wang, J. Hao, J. Shi, S. Botti, M.\,A.\,L. Marques, Y. Li, Phys. Rev. Mater. \textbf{6}, 064801 (2022).

\section*{Thesis}

\item[11] ``Active and Transfer Learning for the Machine
Learning prediction of material properties'', Noah Hoffmann, Master thesis, Martin-Luther University of Halle-Wittenberg (2022).

\item[12] ``Machine Learning the Thermodynamic Stability of Crystal structures'', Jonathan Schmidt, PhD thesis, Martin-Luther University of Halle-Wittenberg (2022).

\end{itemize}
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