\documentclass{article} \usepackage[utf8]{inputenc} \usepackage{fullpage} \begin{document} \begin{itemize} \section*{Papers} \subsection*{International Journals} \item[1] ``Rare-earth magnetic nitride perovskites'', J.\,A. Flores-Livas, R. Sarmiento-Pérez, S. Botti, S. Goedecker, and M.\,A.\,L. Marques, J. Phys.: Materials \textbf{2}, 025003 (2019). \item[2] ``Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions'', F. Tran, J. Doumont, L. Kalantari, A.\,W. Huran, M.\,A.\,L. Marques, P. Blaha, J. Appl. Phys. \textbf{126}, 110902 (2019). \item[3] ``Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures'', M.\,R.\,G. Marques, J. Wolff, C. Steigemann, and M.\,A.\,L. Marques, Phys. Chem. Chem. Phys. \textbf{21}, 6506-6516 (2019). \item[4] ``Double perovskites as p-type conducting transparent semiconductors: A high-throughput search'', Hai-Chen Wang, Paul Pistor, Miguel A. L. Marques, and Silvana Botti, J. Mater. Chem. A \textbf{7}, 14705-14711 (2019). \item[5] ``Representability problem of density functional theory for superconductors'', J. Schmidt, C.\,L. Benavides-Riveros, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{99}, 024502 (2019). \item[6] ``Structural prediction of stabilized atomically-thin tin layers'', P. Borlido, A.\,W. Huran, M.\,A.\,L. Marques, and S. Botti, NPJ 2D Mater. Appl. \textbf{3}, 21 (2019). \item[7] ``On the time evolution of fermionic occupation numbers'', C.\,L. Benavides-Riveros and M.\,A.\,L. Marques, J. Chem. Phys \textbf{151}, 044112 (2019). \item[8] ``Reduced density matrix functional theory for superconductors'', J. Schmidt, C.\,L. Benavides-Riveros, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{99}, 224502 (2019). \item[9] ``On the calculation of the band gap of periodic solids with MGGA functionals using the total energy'', F. Tran, J. Doumont, P. Blaha, M.\,A.\,L. Marques, S. Botti, A.\,P. Bartók, J. Chem. Phys. \textbf{151}, 161102 (2019). \item[10] ``Recent advances and applications of machine learning in solid-state materials science'', J. Schmidt, M.\,R.\,G. Marques, S. Botti, and M.\,A.\,L. Marques, NPJ Comput. Mater. (also appeared in PsiK newsletter, Scientific Highlight of the Month, March) \textbf{5}, 83 (2019). \item[11] ``Large-scale benchmark of exchange-correlation functionals for the determination of electronic band gaps of solids'', P. Borlido, T. Aull, A.\,W. Huran, Fabien Tran, M.\,A.\,L. Marques, and S. Botti, J. Chem. Theor. Comput. \textbf{15}, 5069-5079 (2019). \item[12] ``Computational acceleration of prospective dopant discovery in cuprous iodide'', M. Graužinyte, S. Botti, M.\,A.\,L. Marques, S. Goedecker, and J.\,A. Flores-Livas, Phys. Chem. Chem. Phys. (inside front cover, selected as a 2019 HOT PCCP Article) \textbf{21}, 18839-18849 (2019). \item[13] ``Stable Ordered Phases of Cuprous Iodide with Complexes of Copper Vacancies'', S. Jaschik, M.\,R.\,G. Marques, M. Seifert, C. Rödl, S. Botti, and M.\,A.\,L. Marques, Chem. Mater. \textbf{31}, 7877-7882 (2019). \item[14] ``Mechanism of surface passivation of methylammonium lead tribromide single crystals by benzylamine'', H. Duim, H.-H. Fang, S. Adjokatse, G. ten Brink, M.\,A.\,L. Marques, B. Kooi, G.\,R. Blake, S. Botti, and M.\,A. Loi, Appl. Phys. Rev. (Press release) \textbf{6}, 031401 (2019). \item[15] ``Machine Learning the Physical Non-Local Exchange-Correlation Functional of Density-Functional Theory'', J. Schmidt, C.\,L. Benavides-Riveros, and M.\,A.\,L. Marques, J. Phys. Chem. Lett. \textbf{10}, 6425-6431 (2019). \item[16] ``Tight-binding parameterizations of Ti and Ba oxides and their application for the prediction of two-dimensional phases'', A.\,W. Huran and M.\,A.\,L. Marques, Phys. Status Solidi B \textbf{257}, 1900634 (2019). \section*{Communications} \subsection*{Seminars} \item[17] ``Propagators for systems of ordinary differential equations'', Alberto Castro, (2019). \section*{Thesis} \item[18] ``Theoretical study of the critical temperature of magnetic semiconductors'', Martin Keller, Bachelor thesis, Martin-Luther University of Halle-Wittenberg (2019). \item[19] ``Solutions of the Schrödinger equation with fractal boundary conditions'', Robert Heidrich, Bachelor thesis, Martin-Luther University of Halle-Wittenberg (2019). \end{itemize} \end{document}