2013
- Fernandez Seivane, H Barron, Silvana Botti, M Marques, Angel Rubio, Xochitl Lopez-Lozano Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires Journal of Materials Research 28, (2013). Export BibTeX External Link.
2012
- M. Amsler, J. Flores-Livas, L. Lehtovaara, F. Balima, S.A. Ghasemi, D. Machon, S Pailhes, A. Willand, D. Caliste, Silvana Botti, A. San Miguel, S. Goedecker, M Marques Crystal structure of cold compressed graphite Phys. Rev. Lett. 108, 065501, (2012). Export BibTeX External Link.
- Silvana Botti, J. Flores-Livas, M. Amsler, S. Goedecker, M Marques Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications Phys. Rev. B (Rapid Comm.) 86, 121204, (2012). Export BibTeX External Link.
- M. Amsler, J. Flores-Livas, T.D. Huan, Silvana Botti, M Marques, S. Goedecker Novel Structural Motifs in Low Energy Phases of LiAlH4 Phys. Rev. Lett. 108, 205505, (2012). Export BibTeX External Link.
- D. Hapiuk, M Marques, P. Melinon, J. Flores-Livas, Silvana Botti, B. Masenelli p-doping in expanded phase of ZnO: An ab initio study Phys. Rev. Lett. 108, 115903, (2012). Export BibTeX External Link.
- J. Flores-Livas, L. Lehtovaara, M. Amsler, S. Goedecker, S Pailhes, Silvana Botti, A. San Miguel, M Marques Raman activity of sp3 carbon allotropes under pressure: A density functional theory study Phys. Rev. B 85, 155428, (2012). Export BibTeX External Link.
- D. Kammerlander, Silvana Botti, M Marques, A Marini, C. Attaccalite Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation Phys. Rev. B 86, 125203, (2012). Export BibTeX External Link.
- J. Flores-Livas, M. Amsler, T.J. Lenosky, L. Lehtovaara, Silvana Botti, M Marques, S. Goedecker High-pressure structures of disilane and their superconducting properties Phys. Rev. Lett. 108, 117004, (2012). Export BibTeX External Link.
2011
- Silvana Botti, D. Kammerlander, M Marques Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods Appl. Phys. Lett. 98, 241915, (2011). Export BibTeX External Link.
- M Marques, J. Vidal, M.J.T. Oliveira, Lucia Reining, Silvana Botti Density-based mixing parameter for hybrid functionals Phys. Rev. B 83, 035119 (2011). Export BibTeX
- J. Flores-Livas, R. Debord, Silvana Botti, A. San Miguel, M Marques, S Pailhes Enhancing the superconducting transition temperature of BaSi2 by structural tuning Phys. Rev. Lett. 106, 087002, (2011). Export BibTeX External Link.
- M.J.T. Oliveira, Silvana Botti, M Marques Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations Phys. Chem. Chem. Phys. 13, 15055, (2011). Export BibTeX External Link.
- J. Flores-Livas, R. Debord, Silvana Botti, A. San Miguel, S Pailhes, M Marques Superconductivity in Layered Binary Silicides: A density functional theory study Phys. Rev. B 84, 184503, (2011). Export BibTeX External Link.
2010
- Fabio Trani, J. Vidal, Silvana Botti, M Marques Band structures of delafossite transparent conductive oxides from a self-consistent GW approach Phys. Rev. B 82, 085115, (2010). Export BibTeX External Link.
- J. Vidal, Fabio Trani, Fabien Bruneval, M Marques, Silvana Botti Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides Phys. Rev. Lett. 104, 136401, (2010). Export BibTeX External Link.
- José Vilhena, Silvana Botti, M Marques Excitonic effects in the optical properties of CdSe nanowires Appl. Phys. Lett. 96, 123106, (2010). Export BibTeX External Link.
2009
- Silvana Botti, Hans-Christian Weissker, M Marques Alloying effects on the optical properties of Ge1-xSix nanocrystals from time-dependent density functional theory and comparison with effective-medium theory Phys. Rev. B 79, 155440, (2009). Export BibTeX External Link.
- A Castro, M Marques, D Varsano, Francesco Sottile, Angel Rubio The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory? Comptes Rendus de Physique 10, 469-490 (2009). Export BibTeX External Link.
- Silvana Botti, A Castro, Nektarios Lathiotakis, Xavier Andrade, M Marques Optical and magnetic properties of boron fullerenes Phys. Chem. Chem. Phys 11, Page 4523, (2009). Export BibTeX External Link.
2008
- X Gonze, Carl-Olof Almbladh, Andrea Cucca, D. Caliste, C. Freysoldt, M Marques, Olevano V, Y Pouillon, M. Verstraete Specification of an extensible and portable file format for electronic structure and crystallographic data Computational Materials Science 43, (2008). Export BibTeX