\documentclass{article} \usepackage[latin1]{inputenc} \usepackage{fullpage} \begin{document} \begin{itemize} \section*{Papers} \subsection*{International Journals} \item[1] ``Improving machine-learning models in materials science through large datasets'', Jonathan Schmidt, Tiago F.\,T. Cerqueira, Aldo H. Romero, Antoine Loew, Fabian Jäger, Hai-Chen Wang, Silvana Botti, Miguel A.\,L. Marques, Mater. Today Phys. {\bf 48}, 101560 (2024). \item[2] ``Machine-Learning-Assisted Determination of the Global Zero-Temperature Phase Diagram of Materials'', J. Schmidt, N. Hoffmann, H.\,C. Wang, Pedro Borlido, Pedro J.\,M.\,A. Carriço, Tiago F.\,T. Cerqueira, Silvana Botti, Miguel A.\,L. Marques, Adv. Mater. {\bf 35(22)}, 2210788 (2023). \item[3] ``A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals'', Jonathan Schmidt, Hai-Chen Wang, Tiago F.\,T. Cerqueira, Silvana Botti, and Miguel A.\,L. Marques, Scientific Data {\bf 9}, 1-8 (2022). \item[4] ``High-pressure phases of VO2 from the combination of Raman scattering and ab initio structural search'', Victor Balédent, Tiago F.\,T. Cerqueira, Rafael Sarmiento-Pérez, Abhay Shukla, Christophe Bellin, Marino Marsi, Jean-Paul Itié, Matteo Gatti, Miguel A.\,L. Marques, Silvana Botti, Jean-Pascal Rueff, Physical Review B {\bf 97}, 024107 (2018). \item[5] ``From mesoscale to nanoscale mechanics in single-wall carbon nanotubes'', Abraao C Torres-Dias, Tiago F.\,T. Cerqueira, Wenwen Cui, Miguel A.\,L. Marques, Silvana Botti, Denis Machon, Markus A Hartmann, Yiwei Sun, David J Dunstan, Alfonso San-Miguel, Carbon {\bf 123}, 145-150 (2017). \item[6] ``High-throughput search of ternary chalcogenides for p-type transparent electrodes'', Jingming Shi, Tiago F.\,T. Cerqueira, Wenwen Cui, Fernando Nogueira, Silvana Botti, Miguel A.\,L. Marques, Scientific Reports {\bf 7}, 43179 (2017). \item[7] ``Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study'', RS Alencar, Wenwen Cui, AC Torres-Dias, Tiago F.\,T. Cerqueira, Silvana Botti, Miguel A.\,L. Marques, OP Ferreira, Ch Laurent, A Weibel, D Machon, DJ Dunstan, AG Souza Filho, A San-Miguel, Carbon {\bf 125}, 429-436 (2017). \item[8] ``Radial collapse of carbon nanotubes for conductivity optimized polymer composites'', Félix Balima, Sylvie Le Floch, Christophe Adessi, Tiago F.\,T. Cerqueira, Nicholas Blanchard, Raúl Arenal, Annie Brûlet, Miguel A.\,L. Marques, Silvana Botti, Alfonso San-Miguel, Carbon {\bf 106}, 64-73 (2016). \item[9] ``Prediction and Synthesis of a Non-Zintl Silicon Clathrate'', Tiago F.\,T. Cerqueira, Stéphane Pailhès, Régis Debord, Valentina M Giordano, Romain Viennois, Jingming Shi, Silvana Botti, Miguel A.\,L. Marques, Chemistry of Materials {\bf 28}, 3711-3717 (2016). \item[10] ``Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure'', Wenwen Cui, Tiago F.\,T. Cerqueira, Silvana Botti, Miguel A.\,L. Marques, Alfonso San-Miguel, Physical Chemistry Chemical Physics {\bf 18}, 19926-19932 (2016). \item[11] ``Novel phases of lithium-aluminum binaries from first-principles structural search'', Rafael Sarmiento-Pérez, Tiago F.\,T. Cerqueira, Irais Valencia-Jaime, Maximilian Amsler, Stefan Goedecker, Aldo H Romero, Silvana Botti, Miguel A.\,L. Marques, The Journal of Chemical Physics {\bf 142}, 024710 (2015). \item[12] ``Prediction of Stable Nitride Perovskites'', Rafael Sarmiento-Pérez, Tiago F.\,T. Cerqueira, Sabine Körbel, Silvana Botti, Miguel A.\,L. Marques, Chemistry of Materials {\bf 27}, 5957-5963 (2015). \item[13] ``Materials Design On-the-Fly'', Tiago F. T. Cerqueira, Rafael Sarmiento-Pérez, Maximilian Amsler, F. Nogueira, Silvana Botti, Miguel A. L. Marques, J. Chem. Theory Comput. {\bf 11}, 3955-3960 (2015). \item[14] ``Materials design on-the-fly'', Tiago F.\,T. Cerqueira, Rafael Sarmiento-Pérez, Maximilian Amsler, F. Nogueira, Silvana Botti, Miguel A.\,L. Marques, Journal of Chemical Theory and Computation {\bf 11}, 3955-3960 (2015). \item[15] ``Identification of novel Cu, Ag, and Au ternary oxides from global structural prediction'', Tiago F.\,T. Cerqueira, Sun Lin, Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A.\,L. Marques, Chemistry of Materials {\bf 27}, 4562-4573 (2015). \item[16] ``Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure'', Tiago F.\,T. Cerqueira, Silvana Botti, Alfonso San-Miguel, Miguel A.\,L. Marques, Carbon {\bf 69}, 355-360 (2014). \item[17] ``Sodium–gold binaries: novel structures for ionic compounds from an ab initio structural search'', Rafael Sarmiento-Pérez, Tiago F.\,T. Cerqueira, Irais Valencia-Jaime, Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A.\,L. Marques, Aldo H Romero, New Journal of Physics {\bf 15}, 115007 (2013). \item[18] ``The crystal structure of p-type transparent conductive oxide CuBO2'', Tiago F.\,T. Cerqueira, Rafael Sarmiento-Pérez, Fabio Trani, Maximilian Amsler, Stefan Goedecker, Miguel A.\,L. Marques, Silvana Botti, Mrs Communications {\bf 3}, 157-160 (2013). \item[19] ``Density-based mixing parameter for hybrid functionals'', M.\,A.\,L. Marques, J. Vidal, M.\,J.\,T. Oliveira, L. Reining, S. Botti, Phys. Rev. B {\bf 83}, 035119 (2011). \item[20] ``Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations'', M.\,J.\,T. Oliveira, S. Botti, and M.\,A.\,L. Marques, Phys. Chem. Chem. Phys. {\bf 13}, 15055-15061 (2011). \item[21] ``Excitonic effects in the optical properties of CdSe nanowires'', J.\,G. Vilhena, S. Botti, and M.\,A.\,L. Marques, accepted for publication in Appl. Phys. Lett. (2010). \item[22] ``Optical and magnetic properties of boron fullerenes'', S. Botti, A. Castro, N.\,N. Lathiotakis, X. Andrade, and M.\,A.\,L. Marques, Phys. Chem. Chem. Phys. {\bf 11}, 4523-4527 (2009). \item[23] ``Alloying effects on the optical properties of Ge$_{\rm 1-x}$Si$_{\rm x}$ nanocrystals from TDDFT and comparison with effective-medium theory'', S. Botti, H.-C. Weissker, and M.\,A.\,L. Marques, Phys. Rev. B {\bf 79}, 155440 (2009). \item[24] ``Ab initio calculation and modelling of van der Waals interactions between nanostructures and surfaces'', S. Botti, A. Castro, X. Andrade, A. Rubio, and M.\,A.\,L. Marques, Phys. Rev. B {\bf 78}, 035333 (2008). \item[25] ``Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons'', M.\,A.\,L. Marques, A. Castro, G. Malloci, G. Mulas, and S. Botti, J. Chem. Phys. {\bf 127}, 014107 (2007). \item[26] ``Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations'', S. Botti and M.\,A.\,L. Marques, Phys. Rev. B {\bf 75}, 035311 (2007). \item[27] ``A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities'', Xavier Andrade, Silvana Botti, M.\,A.\,L. Marques, and Angel Rubio, J. Chem. Phys. {\bf 126}, 184106 (2007). \item[28] ``The planar-to-tubular structural transition in boron clusters from optical absorption'', M.\,A.\,L. Marques, Silvana Botti, J. Chem. Phys. {\bf 123}, 014310 (2005). \subsection*{Portuguese Journals} \item[29] ``O que É a Teoria dos Funcionais da Densidade?'', Miguel A. L. Marques e Silvana Botti, Gazeta de Física {\bf 29-4}, 10-15 (2006). \section*{Communications} \subsection*{Poster} \item[30] ``Computational Structure Prediction of Low-Dimension Systems'', Pedro Borlido, Miguel Marques, Silvana Botti, Física2022-23ª Conferência Nacional de Física, 7-10/9 (2022). \item[31] ``Modeling van der Waals interactions between proteins and inorganic surfaces from ab-initio calculations'', M.\,J.\,T. Oliveira, S. Botti, and M.\,A.\,L. Marques, Psi-k Conference 2010 Berlin, Germany, September 12-16 (2010). \item[32] ``Modeling van der Waals interactions between proteins and inorganic surfaces from ab-initio calculations'', M.\,J.\,T. Oliveira, S. Botti, and M.\,A.\,L. Marques, ETSF Workshop 2010 Berlin, Germany, October 12-15 (2010). \end{itemize} \end{document}