\documentclass{article} \usepackage[utf8]{inputenc} \usepackage{fullpage} \begin{document} \begin{itemize} \section*{Books} \subsection*{Chapters of Books} \item[1] ``Response Functions in TDDFT: Concepts and Implementation'', D. A. Strubbe, L. Lehtovaara, A. Rubio, M.\,A.\,L. Marques and S. G. Louie, in "Fundamentals of Time-Dependent Functional Theory", edited by M.\,A.\,L. Marques, N. Maitra, F. Nogueira, E.\,K.\,U. Gross, and A. Rubio, chapter 7 (Springer-Verlag, Berlin), 139-166 (2012). \item[2] ``The Projector Augmented Wave Method'', Lauri Lehtovaara, in "Fundamentals of Time-Dependent Functional Theory", edited by M.\,A.\,L. Marques, N. Maitra, F. Nogueira, E.\,K.\,U. Gross, and A. Rubio, chapter 20 (Springer-Verlag, Berlin), 391-400 (2012). \item[3] ``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). \subsection*{Edited} \item[4] ``Fundamentals of Time-Dependent Density Functional Theory'', M.\,A.\,L. Marques, N.\,T. Maitra, F.\,M.\,S. Nogueira, E.\,K.\,U. Gross, A. Rubio (Eds.), Lecture Notes in Physics, Vol. 837 (Springer, Berlin) (2012). \section*{Papers} \subsection*{International Journals} \item[5] ``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[6] ``Kirzhnits gradient expansion in two dimensions'', A. Putaja, E. Räsänen, R. van Leeuwen, J.\,G. Vilhena, and M.\,A.\,L. Marques, Phys. Rev. B \textbf{85}, 165101 (2012). \item[7] ``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[8] ``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[9] ``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[10] ``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[11] ``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[12] ``Violation of a local form of the Lieb-Oxford bound'', J.\,G. Vilhena, E. Räsänen L. Lehtovaara, and M.\,A.\,L. Marques, Phys. Rev. A \textbf{85}, 052514 (2012). \item[13] ``TDDFT in massively parallel computer architectures: the octopus project'', Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J.\,T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, and M.\,A.\,L. Marques, J. Phys.: Condens. Matter \textbf{24}, 233202 (2012). \item[14] ``Ab initio calculation of the low-lying electronic states of the ZrN molecule'', A. Farhat, M. Korek, M.\,A.\,L. Marques, and S.\,N. Abdul-Al, Can. J. Chem. \textbf{90}, 631-639 (2012). \item[15] ``Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory'', U. De Giovannini, D. Varsano, M.\,A.\,L. Marques, H. Appel, E.\,K.\,U. Gross, and A. Rubio, Phys. Rev. A \textbf{85}, 062515 (2012). \item[16] ``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[17] ``Libxc: a library of exchange and correlation functionals for density functional theory'', M.\,A.\,L. Marques, M.\,J.\,T. Oliveira, and T. Burnus, Comput. Phys. Commun. \textbf{183}, 2272-2281 (2012). \item[18] ``Testing one-body density functionals on a solvable model'', C.\,L. Benavides-Riveros, J.\,C. Várilly, Eur. Phys. J. D \textbf{66}, 274 (2012). \item[19] ``Lowest excited configuration of harmonium'', C.\,L. Benavides-Riveros, J.\,M. Gracia-Bondía, J.\,C. Várilly, Phys. Rev. A \textbf{86}, 022525 (2012). \item[20] ``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). \section*{Communications} \subsection*{Invited} \item[21] ``Some thoughts about old and new density functionals'', M.\,A.\,L. Marques, APS March Meeting 2012, Session Q35: Focus Session: DFT VI: New Functional Developments, 29/02 (2012). \item[22] ``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[23] ``Theoretical Spectroscopy'', S. Botti, 5th International School "Time-Dependent Density Functional Theory: prospects and applications", Benasque, Spain, 8/1/2012 (2012). \subsection*{Oral} \item[24] ``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[25] ``Electronic excitations in thin-film absorbers for photovoltaics'', S. Botti, 17th ETSF-workshop on Electronic Excitations, Coimbra, Portugal, 3/10/2012 (2012). \item[26] ``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). \subsection*{Seminars} \item[27] ``Electronic excitations in materials for thin-film solar cells'', S. Botti, Institut Néel, Grenoble, 15/06/2012 (2012). \item[28] ``Electronic excitations in materials for solar cells'', S. Botti, Seminar at Laboratory for Photovoltaics, Luxembourg, 6/3/2012 (2012). \item[29] ``Exchange-correlation functionals in DFT'', M.\,A.\,L. Marques, Second les Houches school in computational physics, les Houches, 20/06/2012 (2012). \item[30] ``Electronic excitations in materials for photovoltaics'', S. Botti, Group seminar MPI Halle, Germany, 31/7/2012 (2012). \section*{Thesis} \item[31] ``Computational and experimental studies of sp3-materials at high pressure'', José A. Flores Livas, PhD Thesis, Université Claude Bernard - Lyon 1 (2012). \item[32] ``Theoretical calculations with spin orbit effects of the diatomic molecules YS, YN, ZrS, ZrN'', Ayman Farhat, PhD Thesis, Université Claude Bernard - Lyon I (2012). \section*{Other} \item[33] ``TDDFT in massively parallel computer architectures: the octopus project'', Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J.\,T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, and M.\,A.\,L. Marques, PsiK newsletter, Scientific Highlight of the Month, April (2012). \end{itemize} \end{document}