\documentclass{article} \usepackage[utf8]{inputenc} \usepackage{fullpage} \begin{document} \begin{itemize} \section*{Books} \subsection*{Chapters of Books} \item[1] ``Electronic excitations in solar cells from GW approaches'', S. Botti and J. Vidal, in "Computational Approaches to Energy Materials", edited by R. Catlow, A. Sokol and A. Walsh (John Wiley \& Sons, Ltd, Publications), chapter 3, 29-70 (2013). \item[2] ``The microscopic description of a macroscopic experiment'', S. Botti and M. Gatti, in "Fundamentals of Time-Dependent Functional Theory", edited by M.\,A.\,L. Marques, N. Maitra, F.\,M.\,S. Nogueira, E.\,K.\,U. Gross, and A. Rubio, chapter 3 (Springer-Verlag, Berlin Heidelberg), 29-50 (2012). \item[3] ``Fullerene-like CdSe nanoparticles'', S. Botti, Handbook of Nanophysics, edited by Klaus D. Sattler (Taylor\&Francis Publisher, CRC Press, September 17), Vol. 3 (\textit{Nanoparticles and Quantum Dots}), chapter 8.1 (2010). \item[4] ``Symmetry properties of two-dimensional photonic crystals'', C. Andreani, M. Agio, and S. Botti, Electrons and Photons in Solids (Quaderni della Scuola Normale Superiore di Pisa, Pisa, Italy), 71 (2001). \subsection*{Edited} \item[5] ``First Principles Approaches to Spectroscopic Properties of Complex Materials'', C. Di Valentin, S. Botti, M. Cococcioni (Eds.), Topics in Current Chemistry (Springer-Verlag Berlin Heidelberg) \textbf{347} (2014). \section*{Papers} \subsection*{International Journals} \item[6] ``Iodine molecule modifications with high pressure'', J. Shi, S. Botti, M.\,A.\,L. Marques, T. Shinmei, T. Irifune, E. Fonda, A.-M. Flank, P. Lagarde, O. Mathon, V. Pischedda, A. Polian, J.-P. Itié, A. San-Miguel, submitted (2020). \item[7] ``Novel two-dimensional silicon–carbon binaries by crystal structure prediction'', P. Borlido, A.\,W. Huran, M.\,A.\,L. Marques, S. Botti, Phys. Chem. Chem. Phys. (selected as 2020 HOT PCCP Article) \textbf{22}, 8442-8449 (2020). \item[8] ``Validation of pseudopotential calculations for the electronic band gap of solids'', P. Borlido, J. Doumont, F. Tran, M.\,A.\,L. Marques, S. Botti, J. Chem. Theor. Comput. \textbf{16}, 3620-3627 (2020). \item[9] ``Exchange-correlation functionals for band gaps of solids: Benchmark, reparametrization and machine learning'', P. Borlido, J. Schmidt, A.\,W. Huran, F. Tran, M.\,A.\,L. Marques, and S. Botti, NPJ Comput. Mater. \textbf{6}, 96 (2020). \item[10] ``Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential'', T. Rauch, M.\,A.\,L. Marques, S. Botti, Phys. Rev. B \textbf{101}, 245163 (2020). \item[11] ``Local modified Becke-Johnson exchange-correlation potential for interfaces, surfaces, and two-dimensional materials'', T. Rauch, M.\,A.\,L. Marques, S. Botti, J. Chem. Theor. Comput. \textbf{16}, 2654-2660 (2020). \item[12] ``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[13] ``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[14] ``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[15] ``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}, 1-36 (2019). \item[16] ``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[17] ``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[18] ``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[19] ``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[20] ``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[21] ``Predicting the stability of ternary intermetallics with density functional theory and machine learning'', J. Schmidt, L. Chen, S. Botti, and M.\,A.\,L. Marques, J. Chem. Phys. \textbf{148}, 241728 (2018). \item[22] ``Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction'', J. Shi, W. Cui, S. Botti, and M.\,A.\,L. Marques, Phys. Rev. Mater. \textbf{2}, 023604 (2018). \item[23] ``The ground state of two-dimensional silicon'', P. Borlido, C. Rödl, M.\,A.\,L. Marques, S. Botti, 2D Mater. \textbf{5}, 035010 (2018). \item[24] ``Local hybrid density functional for interfaces'', P. Borlido, M.\,A.\,L. Marques, and S. Botti, J. Chem. Theory Comput. \textbf{14}, 939-947 (2018). \item[25] ``Stable hybrid organic-inorganic halide perovskites for photovoltaics from ab-initio high-throughput calculations'', S. Körbel, M.\,A.\,L. Marques, and S. Botti, J. Mater. Chem. A \textbf{6}, 6463-6475 (2018). \item[26] ``Size-dependent optical absorption of Cu$_\textrm{2}$ZnSn(Se,S)$_\textrm{4}$ quantum dot sensitizers from ab initio many-body methods'', S. Körbel, P. Boulanger, X. Blase, M.\,A.\,L. Marques, and S. Botti, Eur. Phys. J. B (special issue for the 65th birthday of Hardy Gross) \textbf{91}, 215 (2018). \item[27] ``High-pressure phases of VO$_\textrm{2}$ from the combination of Raman scattering and \textit{ab initio} structural search'', V. Balédent, T.\,F.\,T. Cerqueira, R. Sarmiento-Pérez, A. Shukla, C. Bellin, M. Marsi, J.-P. Itié, M. Gatti, M.\,A.\,L. Marques, S. Botti, and J.-P. Rueff, Phys. Rev. B \textbf{97}, 024107 (2018). \item[28] ``From mesoscale to nanoscale mechanics in single-wall carbon nanotubes'', A.\,C. Torres-Dias, T.\,F.\,T. Cerqueira, W. Cui, M.\,A.\,L. Marques, S. Botti, D. Machon, M.\,A. Hartmann, Y. Sun, D.\,J. Dunstan, A. San-Miguel, Carbon \textbf{123}, 145-150 (2017). \item[29] ``Anisotropic layered Bi$_\textrm{2}$Te$_\textrm{3}$-In$_\textrm{2}$Te$_\textrm{3}$ composites: control of interface density for tuning of thermoelectric properties'', D. Liu, X. Li, P.\,M. de Castro Borlido, S. Botti, R. Schmechel and M. Rettenmayr, Sci. Rep. \textbf{7}, 43611 (2017). \item[30] ``Predicting the thermodynamic stability of solids combining density functional theory and machine learning'', J. Schmidt, J. Shi, P. Borlido, L. Chen, S. Botti, and M.\,A.\,L. Marques, Chem. Mater. \textbf{29}, 5090-5103 (2017). \item[31] ``High-throughput search of ternary chalcogenides for p-type transparent electrodes'', J. Shi, T.\,F.\,T. Cerqueira, W. Cui, F. Nogueira, S. Botti, M.\,A.\,L. Marques, Sci. Rep. \textbf{7}, 43179 (2017). \item[32] ``Structural prediction of two-dimensional materials under strain'', P. Borlido, C. Steigemann, N.\,N. Lathiotakis, M.\,A.\,L. Marques, and S. Botti, 2D Mater. \textbf{4}, 045009 (2017). \item[33] ``Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study'', R.\,S. Alencar, W. Cui, A.\,C. Torres-Dias, T.\,F.\,T. Cerqueira, S. Botti, M.\,A.\,L. Marques, O.\,P. Ferreira, Ch. Laurent, A. Weibel, D. Machon, D.\,J. Dunstan, A.\,G. Souza Filho, A. San-Miguel, Carbon \textbf{125}, 429-436 (2017). \item[34] ``Radial collapse of carbon nanotubes for conductivity optimized polymer composites'', F. Balima, S. Le Floch, C. Adessi, T.\,F.\,T. Cerqueira, N. Blanchard, R. Arenal, A. Brûlet, M.\,A.\,L. Marques, S. Botti, A. San-Miguel, Carbon \textbf{106}, 64-73 (2016). \item[35] ``Topological Crystalline Insulator in a New Bi Semiconducting Phase'', F. Munoz, M.\,G. Vergniory, T. Rauch, J. Henk, E.\,V. Chulkov, I. Mertig, S. Botti, M.\,A.\,L. Marques, A.\,H. Romero, Sci. Rep. \textbf{6}, 21790 (2016). \item[36] ``Novel crystal structures for lithium-silicon alloy predicted by minima hopping method'', I. Valencia-Jaime, R. Sarmiento-Pérez, S. Botti, M.\,A.\,L. Marques, M. Amsler, S. Goedecker, A.\,H. Romero, J. Alloys Compd. \textbf{655}, 147-154 (2016). \item[37] ``Investigation of new phases in the Ba–Si phase diagram under high pressure using ab initio structural search'', J. Shi, W. Cui, J.\,A. Flores-Livas, A. San-Miguel, S. Botti and M.\,A.\,L. Marques, Phys. Chem. Chem. Phys. \textbf{18}, 8108-8114 (2016). \item[38] ``Stable single-phase Zn-rich Cu$_\textrm{2}$ZnSnSe$_\textrm{4}$ through In doping'', S. Hartnauer, S. Körbel, M.\,A.\,L. Marques, S. Botti, P. Pistor, and R. Scheer, APL Mater. \textbf{4}, 070701 (2016). \item[39] ``Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations'', S. Körbel, M.\,A.\,L. Marques, and S. Botti, J. Mater. Chem. C \textbf{4}, 3157-3167 (2016). \item[40] ``Rigamonti et al. Reply: 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, and F. Sottile, Phys. Rev. Lett. \textbf{117}, 159702 (2016). \item[41] ``Prediction and synthesis of a non-Zintl silicon clathrate'', T.\,F.\,T. Cerqueira, Stéphane Pailhès, Régis Debord, Valentina M. Giordano, Romain Viennois, Jingming Shi, Silvana Botti, and M.\,A.\,L. Marques, Chem. Mater. \textbf{28}, 3711-3717 (2016). \item[42] ``Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure'', W. Cui, T.\,F.\,T. Cerqueira, S. Botti, M.\,A.\,L. Marques, and A. San-Miguel, Phys. Chem. Chem. Phys. \textbf{18}, 19926-19932 (2016). \item[43] ``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[44] ``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). \item[45] ``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[46] ``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[47] ``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[48] ``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[49] ``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[50] ``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[51] ``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[52] ``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[53] ``Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach”'', M. Amsler, J.\,A. Flores-Livas, S. Botti, M.\,A.\,L. Marques, and S. Goedecker, Phys. Rev. Lett. \textbf{112}, 199801 (2014). \item[54] ``Band alignment and local structure of CIGS alloys from combining X-ray absorption spectroscopy and ab initio calculations'', R. Sarmiento-Pérez, S. Botti, C.\,S. Schnohr, I. Lauermann, A. Rubio, and B. Johnson, J. Appl. Phys. \textbf{116}, 093703 (2014). \item[55] ``Benchmark Many-Body GW and Bethe-Salpeter calculations for small transition-metal molecules'', S. Körbel, P. Boulanger, I. Duchemin, X. Blase, M.\,A.\,L. Marques, S. Botti, J. Chem. Theory Comput. \textbf{10}, 3934-3943 (2014). \item[56] ``Novel structural motif in low energy phases of NaSc(BH$_\textrm{4}$)$_\textrm{4}$'', T. D. Huan, M. Amsler, S. Botti, M.\,A.\,L. Marques, and S. Goedecker, J. Chem. Phys. \textbf{140}, 124708 (2014). \item[57] ``Density-functional tight-binding study of the collapse of Carbon Nanotubes under hydrostatic pressure'', T.\,F.\,T. Cerqueira, S. Botti, A. San Miguel, M.\,A.\,L. Marques, Carbon \textbf{69}, 355-360 (2014). \item[58] ``Atomic and electronic properties of quasi-one-dimensional MoS$_\textrm{2}$ nanowires'', L. Fernandez Seivane, H. Barrón, S. Botti, M.\,A.\,L. Marques, A. Rubio, and X. Lopez-Lozano, J. Mater. Res. \textbf{28}, 240-249 (2013). \item[59] ``Prediction of a novel monoclinic carbon allotrope'', M. Amsler, J. Flores-Livas, M.\,A.\,L. Marques, S. Botti, and S. Goedecker, Eur. Phys. J. B \textbf{86}, 383 (2013). \item[60] ``Conducting boron sheets formed by the reconstruction of the α-boron (111) surface'', M. Amsler, S. Botti, M.\,A.\,L. Marques, S. Goedecker, Phys. Rev. Lett. \textbf{111}, 136101 (2013). \item[61] ``Ab-initio electronic gaps of Ge nanodots: the role of self-energy effects'', M. Marsili, S. Botti, M. Palummo, E. Degoli, O. Pulci, H-C. Weissker, M.\,A.\,L. Marques, S. Ossicini, R. Del Sole, J. Phys. Chem. C \textbf{117}, 14229-14234 (2013). \item[62] ``Comment on "Topological insulators in ternary compounds with honeycomb lattice"'', M.\,G. Vergniory, M.\,A.\,L. Marques, S. Botti, M. Amsler, S. Goedecker, E.\,V. Chulkov, A. Ernst, A.\,H. Romero, Phys. Rev. Lett. \textbf{110}, 129701 (2013). \item[63] ``Sodium-gold binaries: novel structures for ionic compounds from ab initio structural search'', R. Sarmiento-Pérez, T.\,F.\,T. Cerqueira, I. Valencia-Jaime, M. Amsler, S. Goedecker, S. Botti, M.\,A.\,L. Marques, and A.\,H. Romero, New J. of Phys. \textbf{15}, 115007 (2013). \item[64] ``Strong renormalization of the electronic band gap due to lattice polarization in the GW formalism'', S. Botti and M.\,A.\,L. Marques, Phys. Rev. Lett. \textbf{110}, 226404 (2013). \item[65] ``Carbon structures and defect-planes in diamond at high pressure'', S. Botti, M. Amsler, J.\,A. Flores-Livas, P. Ceria, S. Goedecker, M.\,A.\,L. Marques, Phys. Rev. B \textbf{88}, 014102 (2013). \item[66] ``Low-Energy Polymeric Phases of Alanates'', T.\,D. Huan, M. Amsler, M.\,A.\,L. Marques, S. Botti, A. Willand, S. Goedecker, Phys. Rev. Lett. \textbf{110}, 135502 (2013). \item[67] ``The crystal structure of the p-type transparent conductive oxide CuBO$_\textrm{2}$'', T.\,F.\,T. Cerqueira, R. Sarmiento-Pérez, F. Trani, M. Amsler, S. Goedecker, M.\,A.\,L. Marques and S. Botti, MRS Communications \textbf{3}, 157-160 (2013). \item[68] ``p-doping in expanded phases of ZnO: An ab initio study'', D. Hapiuk, M.\,A.\,L. Marques, P. Melinon, J.\,A. Flores-Livas, S. Botti, and B. Masenelli, Phys. Rev. Lett. \textbf{108}, 115903 (2012). \item[69] ``Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation'', D. Kammerlander, S. Botti, M.\,A.L Marques, A. Marini, C. Attaccalite, Phys. Rev. B \textbf{86}, 125203 (2012). \item[70] ``Raman activity of sp3 carbon allotropes under pressure: A density functional theory study'', J.\,A. Flores-Livas, L. Lehtovaara, M. Amsler, S. Goedecker, S. Pailhès, S. Botti, A. San Miguel, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{85}, 155428 (2012). \item[71] ``High pressure structures of disilane and their superconducting properties'', J.\,A. Flores-Livas, M. Amsler, T.\,J. Lenosky, L. Lehtovaara, S. Botti, M.\,A.\,L. Marques, S. Goedecker, Phys. Rev. Lett. \textbf{108}, 117004 (2012). \item[72] ``Feedback mechanism for the stability of the band gap of CuInSe2'', L. Gutay, D. Regesch, J.\,K. Larsen, Y. Aida, V. Depredurand, A. Redinger, S. Caneva, S. Schorr, C. Stephan, J. Vidal, S. Botti, and S. Siebentritt, Phys. Rev. B \textbf{86}, 045216 (2012). \item[73] ``The crystal structure of cold compressed graphite'', M. Amsler, J.\,A. Flores-Livas, L. Lehtovaara, F. Balima, S.\,A. Ghasemi, D. Machon, S. Pailhès, A. Willand, D. Caliste, S. Botti, A. San Miguel, S. Goedecker, M.\,A.\,L. Marques, Phys. Rev. Lett. \textbf{108}, 065501 (2012). \item[74] ``Novel structural motifs in low energy phases of LiAlH$_\textrm{4}$'', M. Amsler, J.\,A. Flores-Livas, T.\,D. Huan. S. Botti, M.\,A.\,L. Marques, S. Goedecker, Phys. Rev. Lett. \textbf{108}, 205505 (2012). \item[75] ``Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications'', S. Botti, J.\,A. Flores-Livas, M. Amsler, S. Goedecker, M.\,A.\,L. Marques, Phys. Rev. B (Rapid Comm.) \textbf{86}, 121204(R) (2012). \item[76] ``First-principles study of the band structure and optical absorption of CuGaS$_\textrm{2}$'', I. Aguilera, J. Vidal, P. Wahnón, L. Reining, and S. Botti, Phys. Rev. B \textbf{84}, 085145 (2011). \item[77] ``Enhancing the superconducting transition temperature of BaSi$_\textrm{2}$ by structural tuning'', J.\,A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, M.\,A.\,L. Marques, and S. Pailhès, Phys. Rev. Lett. \textbf{106}, 087002 (2011). \item[78] ``Superconductivity in Layered Binary Silicides: A density functional theory study'', J.\,A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, S. Pailhès, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{84}, 184503 (2011). \item[79] ``Density-based mixing parameter for hybrid functionals'', M.\,A.\,L. Marques, J. Vidal, M.\,J.\,T. Oliveira, L. Reining, S. Botti, Phys. Rev. B \textbf{83}, 035119 (2011). \item[80] ``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. \textbf{13}, 15055-15061 (2011). \item[81] ``Band structures of Cu$_\textrm{2}$ZnSnS$_\textrm{4}$ and Cu$_\textrm{2}$ZnSnSe$_\textrm{4}$ from many-body methods'', S. Botti, D. Kammerlander, and M.\,A.\,L. Marques, Appl. Phys. Lett. \textbf{98}, 241915 (2011). \item[82] ``Band structures of delafossite transparent conductive oxides from a self-consistent \textit{GW} approach'', F. Trani, J. Vidal, S. Botti, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{82}, 085115 (2010). \item[83] ``Effects of electronic and lattice polarization on the band-structure of delafossite transparent conductive oxides'', J. Vidal, F. Trani, F. Bruneval, M.\,A.\,L. Marques, and S. Botti, Phys. Rev. Lett. \textbf{104}, 136401 (2010). \item[84] ``Strong interplay between structure and electronic properties in CuIn(S,Se)2: a first-principles study'', J. Vidal, S. Botti, P. Olsson, J-F. Guillemoles, and L. Reining, Phys. Rev. Lett. \textbf{104}, 056401 (2010). \item[85] ``Excitonic effects in the optical properties of CdSe nanowires'', J.\,G. Vilhena, S. Botti, and M.\,A.\,L. Marques, Appl. Phys. Lett. \textbf{96}, 123106 (2010). \item[86] ``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. \textbf{11}, 4523-4527 (2009). \item[87] ``Alloying effects on the optical properties of Ge$_\textrm{1-x}$Si$_\textrm{x}$ nanocrystals from TDDFT and comparison with effective-medium theory'', S. Botti, H.-C. Weissker, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{79}, 155440 (2009). \item[88] ``Local atomic order and optical properties in amorphous and laser-crystallized GeTe'', W. Welnic, M. Wuttig, S. Botti, and L. Reining, C.\,R. Physique \textbf{10}, 514-527 (2009). \item[89] ``Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces'', S. Botti, A. Castro, X. Andrade, A. Rubio, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{78}, 035333 (2008). \item[90] ``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. \textbf{127}, 014107 (2007). \item[91] ``Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations'', S. Botti and M.\,A.\,L. Marques, Phys. Rev. B \textbf{75}, 035311 (2007). \item[92] ``Time-dependent density-functional theory for extended systems'', S. Botti, A. Schindlmayr, R. Del Sole, and L. Reining, Rep. Prog. Phys. \textbf{70}, 357-407 (2007). \item[93] ``Origin of the optical contrast in phase change materials'', W. Welnic, S. Botti, L. Reining, and M. Wuttig, Phys. Rev. Lett. \textbf{98}, 236403 (2007). \item[94] ``A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities'', X. Andrade, S. Botti, M.\,A.\,L. Marques, and A. Rubio, J. Chem. Phys. \textbf{126}, 184106 (2007). \item[95] ``Comment on "Quantum confinement and electronic properties of silicon nanowires"'', F. Bruneval, S. Botti, and L. Reining, Phys. Rev. Lett. \textbf{94}, 219701 (2005). \item[96] ``TDDFT from molecules to solids: the role of long-range interactions'', F. Sottile, F. Bruneval, A. G. Marinopoulos, L. K. Dash, S. Botti, V. Olevano, N. Vast, A. Rubio, and L. Reining, Int. J. Quantum Chem. \textbf{102}, 684 (2005). \item[97] ``The planar-to-tubular structural transition in boron clusters from optical absorption'', M.\,A.\,L. Marques and S. Botti, J. Chem. Phys. \textbf{123}, 014310 (2005). \item[98] ``Energy dependence of the exchange-correlation kernel of time-dependent density functional theory'', S. Botti, A. Fourreau, F. Nguyen, Y-O. Renault, F. Sottile, and L. Reining, Phys. Rev. B \textbf{72}, 125203 (2005). \item[99] ``Long range contribution to the exchange-correlation kernel of time-dependent density functional theory'', S. Botti, F. Sottile, N. Vast, V. Olevano, L. Reining, H-Ch. Weissker, A. Rubio, G. Onida, R. Del Sole, and R.\,W. Godby, Phys. Rev. B \textbf{69}, 155112 (2004). \item[100] ``Ab initio and semi-empirical dielectric response of superlattices'', S. Botti, N. Vast, L. Reining, V. Olevano, and L.\,C. Andreani, Phys. Rev. B \textbf{70}, 045301 (2004). \item[101] ``Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices'', S. Botti, N. Vast, L. Reining, V. Olevano, and L.\,C. Andreani, Phys. Rev. Lett. \textbf{89}, 216803 (2002). \item[102] ``Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method'', S. Botti and L.\,C. Andreani, Phys. Rev. B \textbf{63}, 2353133 (2001). \item[103] ``On-site magnetization in open antiferromagnetic chains: a classical analysis versus NMR experiments in a spin-1 compound'', S. Botti, A. Rosso, R. Santachiara, and F. Tedoldi, Phys. Rev. B \textbf{63}, 012409 (2001). \subsection*{Portuguese Journals} \item[104] ``O que É a Teoria dos Funcionais da Densidade?'', M.\,A.\,L. Marques and S. Botti, Gazeta de Física \textbf{29-4}, 10-15 (2006). \section*{Proceedings} \subsection*{International Conferences} \item[105] ``Growth dynamics of hydrogenated silicon nanoparticles under realistic conditions of a plasma reactor'', H. Vach, Q. Brulin, N. Chaabane, T. Novikova, P. Roca i Cabarrocas, B. Kalache, K. Hassouni, S. Botti, and L. Reining, Comp. Mater. Sci. \textbf{35}, 216 (2006). \item[106] ``Applications of time dependent density functional theory'', S. Botti, Physica Scripta \textbf{T109}, 54 (2004). \section*{Communications} \subsection*{Invited} \item[107] ``Electronic excitations in CZTS from first-principles'', S. Botti, Premières rencontres françaises sur les kesterites pour le photovoltaïque, EDF-Châtou, 13-14/6/2013 (2013). \item[108] ``Theoretical Spectroscopy'', S. Botti, 5th International School "Time-Dependent Density Functional Theory: prospects and applications", Benasque, Spain, 8/1/2012 (2012). \item[109] ``Electronic excitations in materials for photovoltaics'', S. Botti, CFCAM Meeting "Numerical methods and mathematical approaches for solar devices", INRIA (Paris), 05/09/2012 (2012). \item[110] ``Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory'', S. Botti, Theory and computation of electronic structure: new frontiers Symposium @ DPG Spring Meeting, Dresden, Germany, 17/3/2011 (2011). \item[111] ``Electronic excitations in thin-film solar cells from restricted self-consistent GW'', S. Botti, Workshop “Self-consistent Green`s function methods", Espace de Structure Nucléaire Théorique (CEA/SPhN), Gif-sur-Yvette, France, 9/9/2010 (2010). \item[112] ``The electronic structure of delafossite transparent conductive oxides'', S. Botti, Meeting MaProSu, Toulouse, France, 13/12/2010 (2010). \item[113] ``Electronic properties of materials for thin-film solar cells: Which ab initio approaches can we trust?'', S. Botti, 4th International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 11/1/2012 (2010). \item[114] ``Theoretical Spectroscopy'', S. Botti, 4th International School "Time-Dependent Density Functional Theory: prospects and applications", Benasque, Spain, 2/1/2010 (2010). \item[115] ``Electronic excitations in thin-film solar cells: beyond standard density functional theory'', S. Botti, “Psi_k-2010” Conference (Symposium Solar Energy Conversion and Harvesting) held in Berlin (Germany), September 14 (2010). \item[116] ``Electronic properties of materials for thin-film solar cells: Which ab initio approaches can we trust?'', S. Botti, “French-American Young Engineering Scientists Symposium 2009”, Synchrotron Soleil, France, 16/11/2009 (2009). \item[117] ``Electronic properties of CIGS materials for photovoltaic conversion: self-consistent GW calculations'', S. Botti, Workshop “Computational Nanoscience for Renewable Energy Solutions”, Helsinki, Finland, 14/9/2009 (2009). \item[118] ``Photoelectronic properties of chalcopyrites for photovoltaic conversion'', S. Botti, 3rd International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 12/9/2008 (2008). \item[119] ``Ab initio modeling of optoelectronic properties of chalcopyrites for photovoltaic conversion'', S. Botti, CECAM Workshop “Critical materials issues in photovoltaics: searching for solutions via theory and simulations” CECAM-EPFL, Lausanne, Switzerland, 3/6/2008 (2008). \item[120] ``How do rewritable DVDs work? Optical properties of phase-change materials'', S. Botti, Intensive training unit “Electronic excitations in materials and in nano-structures: theoretical methods, algorithms and computer tools”, Queens University of Belfast, UK, 26-28/6/2007 (2007). \item[121] ``How do rewritable DVDs work? Optical properties of phase-change materials'', S. Botti, 2nd International Workshop “Time dependent Density-Functional Theory: Prospects and Applications”, Benasque, Spain, 7-11/9/2006 (2006). \item[122] ``Effets de la taille sur les propriétés des nano-particules'', S. Botti, Atelier synthèse et traitement de nano-particules par plasmas basse pression, Gif sur Yvette, France, 22/11/2005 (2005). \item[123] ``TDDFT from clusters to solids'', S. Botti, Mini-workshop TDDFT, Coimbra, Portugal, 6/5/2005 (2005). \item[124] ``Applications of TDDFT'', S. Botti, DFT beyond the ground state: Exciting Summer School, Riksgränsen, Sweden, 26/6/2003 (2003). \item[125] ``Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices'', S. Botti, Special Workshop of Marie Curie Fellows: Research and Training in Physics and Technology, CERN, Geneve, Suisse, 3/10/2002 (2002). \item[126] ``Ab inito calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices'', S. Botti, CECAM workshop: Ab initio Theoretical Approaches to the Electronic Structure and Optical Spectra of Materials, Lyon, France, 25/9/2002 (2002). \subsection*{Oral} \item[127] ``Designing and understanding novel materials for energy'', S. Botti, Demi-Journée Matériaux et Énergies, Institut Lumière Matière, 14/11/2013 (2013). \item[128] ``State-of-the art ab initio calculations of electronic states and thermoelectric properties'', S. Botti, Annual Meeting of the GDR Thermoelectricity, Lyon, France, 06/12/2012 (2012). \item[129] ``Electronic excitations in Cu-based materials for thin-film solar cells'', S. Botti, 2nd TYC Energy Materials Workshop held at King’s College in London, UK, 08/06/2012. (2012). \item[130] ``Electronic excitations in thin-film absorbers for photovoltaics'', S. Botti, 17th ETSF-workshop on Electronic Excitations, Coimbra, Portugal, 3/10/2012 (2012). \item[131] ``Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides'', Fabio Trani, Julien Vidal, Fabien Bruneval, Miguel A. L. Marques, and Silvana Botti, TCM 2010 3nd International Symposium on Transparent Conductive Materials, 17 - 21 October, 2010 Analipsi / Hersonissos, Crete, Greece (2010). \item[132] ``The physics of CdSe nanocrystals: structural and optical properties from ab initio'', S. Botti, Psi_k Confernce 2005, Schwäbisch Gmünd, Germany, 21/09/2005 (2005). \subsection*{Seminars} \item[133] ``Electronic excitations in CZTS from first-principles (I)'', Silvana Botti and Miguel Marques, AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013). \item[134] ``Electronic excitations in CZTS from first-principles (II)'', Silvana Botti and Miguel Marques, AMU, Domaine Universitaire de Saint Jérôme Case 231 - 13397, Marseille, France, 6/9/2013 (2013). \item[135] ``Electronic excitations in materials for thin-film solar cells'', S. Botti, Institut Néel, Grenoble, 15/06/2012 (2012). \item[136] ``Electronic excitations in materials for photovoltaics'', S. Botti, Group seminar MPI Halle, Germany, 31/7/2012 (2012). \item[137] ``Electronic excitations in materials for solar cells'', S. Botti, Seminar at Laboratory for Photovoltaics, Luxembourg, 6/3/2012 (2012). \item[138] ``Electronic properties of CIGS materials for photovoltaic conversion: self-consistent GW calculations'', S. Botti, Physics Department of the University of Coimbra, Portugal, 17/2/2010 (2010). \item[139] ``Ab initio approaches to electronic excitations in materials for thin-film solar cells'', S. Botti, Theory Seminars at Fritz-Haber Institut, Berlin (Germany), 15/7/2010 (2010). \item[140] ``Electronic excitations in thin-film materials for solar cells: beyond standard density functional theory'', S. Botti, Seminaires du LASIM, Lyon, France, 21/10/2010 (2010). \item[141] ``Electronic properties of materials for solar cells: which ab initio approaches can we trust?'', S. Botti, DIPC Seminars, San Sebastian, Spain, 19/6/2009 (2009). \item[142] ``Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of van der Waals forces'', S. Botti, Seminaires du LPMCN, Université Lyon 1, Lyon, France, 23/3/2008 (2008). \item[143] ``Density-functional based study of nanomaterials: i) vdW interactions between nanocrystals and surfaces, ii) alloying effects in the optical properties of Si-Ge clusters'', S. Botti, Seminares du IEMN, Lille, France, 14/3/2008 (2008). \section*{Thesis} \item[144] ``Electronic excitations in complex systems: beyond density functional theory for real materials'', S. Botti, Mémoire de Habilitation à Diriger des Recherches, Université Claude Bernard - Lyon 1 (2010). \item[145] ``Semi-empirical and ab initio calculations of the optical properties of semiconductor superlattices'', S. Botti, Ph.D. thesis, University of Pavia, Italy (2002). \end{itemize} \end{document}