\documentclass{article} \usepackage[latin1]{inputenc} \usepackage{fullpage} \begin{document} \begin{itemize} \section*{Papers} \subsection*{International Journals} \item[1] ``High-refractive-index materials screening from machine learning and ab initio methods'', Pedro J.\,M.\,A. Carriço, Márcio Ferreira, Tiago F.\,T. Cerqueira, Fernando Nogueira, Pedro Borlido, Phys. Rev. Mater. {\bf 8}, 015201 (2024). \item[2] ``Sampling the Materials Space for Conventional Superconducting Compounds'', Tiago F.\,T. Cerqueira, Antonio Sanna, Miguel A.\,L. Marques, Adv. Mater. {\bf 36(1)}, 2307085 (2024). \item[3] ``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[4] ``Searching for ductile superconducting Heusler X2YZ compounds'', N. Hoffmann, Tiago F.\,T. Cerqueira, Pedro Borlido, Antonio Sanna, J. Schmidt, Miguel A.\,L. Marques, NPJ Comput. Mater. {\bf 9(1)}, 138 (2023). \item[5] ``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[6] ``Superconductivity in antiperovskites'', Noah Hoffmann, Tiago F.\,T. Cerqueira, Jonathan Schmidt, Miguel A.\,L. Marques, npj Computational Materials {\bf 8}, 150 (2022). \item[7] ``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[8] ``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[9] ``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[10] ``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[11] ``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[12] ``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[13] ``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[14] ``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[15] ``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[16] ``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[17] ``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[18] ``Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities'', Tiago F.\,T. Cerqueira, M.\,J.\,T. Oliveira, M.\,A.\,L. Marques, J. Chem. Theory Comput. {\bf 10}, 5625-5629 (2014). \item[19] ``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[20] ``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[21] ``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). \section*{Communications} \subsection*{Poster} \item[22] ``Polytypism in nanostructure AgBiSe2'', J.\,N.\,Q. Oliveira, J. Batista, A. Fontes, Tiago F.\,T. Cerqueira, F. Nogueira, J.\,A. Paixão, 2º Encontro Nacional de Cristalografia {\bf Lisboa, 15-16/7} (2022). \item[23] ``First-principles calculation of superconducting transition temperature of Al-Li-Pd ternary materials'', Josué Vermelo, Fernando Nogueira, Tiago F.\,T. Cerqueira, Física2022, 23ª Conferência Nacional de Física, 7-10/9 (2022). \item[24] ``Phase diagrams of high-pressure ternary systems'', João N.\,Q. Oliveira, Fernando Nogueira, Tiago F.\,T. Cerqueira, Física2022-23ª Conferência Nacional de Física, 7-10/9 (2022). \item[25] ``Superconductivity in antiperovskites'', Noah Hoffmann, Tiago F.\,T. Cerqueira, Jonathan Schmidt, Miguel A. L. Marques, Física2022, 23ª Conferência Nacional de Física, 7-10/9 (2022). \item[26] ``Large scale screening of high refractive index materials'', Pedro J.\,M.\,A. Carriço, Pedro Borlido, Márcio Ferreira, Tiago F.\,T. Cerqueira, Física2022, 23ª Conferência Nacional de Física, 7-10/9 (2022). \item[27] ``Automated search for new I-V-VI(2) thermoelectric materials'', Tiago F.\,T. Cerqueira, Fernando Nogueira, Towards understanding and modelling intense electronic excitation / CA17126, Working Group Meeting + MC Meeting + Core Group Meeting, 17 \& 18 February 2020, Warsaw, Poland (2020). \section*{Thesis} \item[28] ``Structural prediction and materials design : from high throughput to global minima optimization methods'', Tiago F.\,T. Cerqueira, Friedrich-Schiller-Universität Jena (2016). \item[29] ``Influence of the Exchange and Correlation Functional in the Ionization Potentials of Atoms'', Tiago F.\,T. Cerqueira, University of Coimbra (2012). \end{itemize} \end{document}