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\begin{itemize}
\section*{Papers}

\subsection*{International Journals}

\item[1] ``Prediction of Stable Nitride Perovskites'', R. Sarmiento-Pérez, T.\,F.\,T. Cerqueira, Sabine Körbel, Silvana Botti, and M.\,A.\,L. Marques, Chem. Mater. \textbf{27}, 5957-5963 (2015).

\item[2] ``Superconductivity in an expanded phase of ZnO: an \textit{ab initio} study'', D. Hapiuk, M.\,A.\,L. Marques, P. Mélinon, J. A. Flores-Livas, S. Botti, and B. Masenelli, New J. Phys. \textbf{17}, 043034 (2015).

\item[3] ``Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme'', S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, F. Sottile, Phys. Rev. Lett. \textbf{114}, 146402 (2015).

\item[4] ``Generalized Pauli constraints in reduced density matrix functional theory'', Iris Theophilou, Nektarios N. Lathiotakis, M.\,A.\,L. Marques, Nicole Helbig, J. Chem. Phys. \textbf{142}, 154108 (2015).

\item[5] ``Novel phases of lithium-aluminum binaries from first-principles structural search'', R. Sarmiento-Pérez, T.\,F.\,T. Cerqueira, I. Valencia-Jaime, M. Amsler, S. Goedecker, A.\,H. Romero, S. Botti, M.\,A.\,L. Marques, J. Chem. Phys. \textbf{142}, 024710 (2015).

\item[6] ``Materials design on-the-fly'', T.\,F.\,T. Cerqueira, R. Sarmiento-Pérez, M. Amsler, F. Nogueira, S. Botti, and M.\,A.\,L. Marques, J. Chem. Theory Comput. \textbf{11}, 3955-3960 (2015).

\item[7] ``Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction'', T.\,F.\,T. Cerqueira, Sun Lin, M. Amsler, S. Goedecker, S. Botti, and M.\,A.\,L. Marques, Chem. Mater. \textbf{27}, 4562-4573 (2015).

\item[8] ``Detection of novel Cu$_\textrm{2}$Zn$_\textrm{5}$SnSe$_\textrm{8}$ and Cu$_\textrm{2}$Zn$_\textrm{6}$SnSe$_\textrm{9}$ phases in co-evaporated Cu$_\textrm{2}$ZnSnSe$_\textrm{4}$ thin-films'', T. Schwarz, M.\,A.\,L. Marques, S. Botti, M. Mousel, A. Redinger, S. Siebentritt, O. Cojocaru-Mirédin, D. Raabe, and P.-P. Choi, Appl. Phys. Lett. \textbf{107}, 172102 (2015).

\item[9] ``Quasipinning and selection rules for excitations in atoms and molecules'', C.\,L. Benavides-Riveros, M. Springborg, Phys. Rev. A \textbf{92}, 012512 (2015).

\item[10] ``Insights into the modulation of light absorption by chlorophyll in green plants'', Joaquim Jornet-Somoza, Joseba Alberdi-Rodriguez, Bruce F. Milne, Xavier Andrade, M.\,A.\,L. Marques, Fernando Nogueira, Micael J. T. Oliveira, and Angel Rubio, Phys. Chem. Chem. Phys. \textbf{17}, 26599-26606 (2015).

\item[11] ``Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation'', S. Körbel, D. Kammerlander, R. Sarmiento-Pérez, C. Attaccalite, M.\,A.\,L. Marques, and S. Botti, Phys. Rev. B \textbf{91}, 075134 (2015).

\item[12] ``Optimized Exchange and Correlation Functional for the Calculation of Energies of Formation'', R. Sarmiento-Pérez, S. Botti, M.\,A.\,L. Marques, J. Chem. Theory Comput. \textbf{11}, 3844-3850 (2015).

\item[13] ``Real-space grids and the Octopus code as tools
for the development of new simulation
approaches for electronic systems'', X. Andrade, D. Strubbe, U. De Giovannini, A. Hjorth Larsen, M.\,J.\,T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M.\,A.\,L. Marques, and A. Rubio, Phys. Chem. Chem. Phys. \textbf{17}, 31371-31396 (2015).

\item[14] ``Low-density silicon allotropes for photovoltaic applications'', Maximilian Amsler, Silvana Botti, M.\,A.\,L. Marques, Thomas J. Lenosky, and Stefan Goedecker, Phys. Rev. B \textbf{92}, 014101 (2015).

\section*{Thesis}

\item[15] ``Ab initio prediction of crystalline phases and electronic properties of alloys and other compounds'', Rafael Sarmiento Perez, PhD Thesis, Université Claude Bernard - Lyon 1 (2015).

\item[16] ``Disentangling the marginal problem in quantum chemistry'', C.\,L. Benavides-Riveros, PhD thesis, Universidad de Zaragoza (2015).

\end{itemize}
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