PhD (and Master) Thesis of the Theoretical Spectroscopy group

PhD Thesis

Title	Author	Year	File	Photo
Charge density response of 2D polymorphs: borophene as a prototypical case	Alam Osorio	2024	thesis_Alam_compressed.pdf (9.78 MB)
From spectra to total energy: beyond the GW approximation designing effective interactions	Abdallah El-Sahili	2024	version_definitive_these_elsahili.pdf (7.33 MB)
A novel shortcut for computational materials design	Ayoub Aouina	2022	AOUINA_2022_these_0.pdf (5.32 MB)
Second Harmonic Generation from silicon surfaces functionalized with DNA nucleobases: an ab initio description	Stefano Mazzei	2021	105736_MAZZEI_2021_archivage-2b_ETSF.pdf (7.45 MB)
Theoretical Description of Non-linear Processes in Magnetic Materials	Shalu Rani	2021	RANI_2021_these_compressed.pdf (2.1 MB)
Electronic properties of silver chloride: influence of excitons on the charge dynamics	Arnaud Lorin	2020	final-compresso.pdf (5.61 MB)
Numerical design of meta-materials for photovoltaic applications	Ilia Iagupov	2018	Thesis_Ilia.pdf (6.91 MB)
Auxiliary systems for observables: dynamical local connector approximation for electron addition and removal spectra	Marco Vanzini	2018	vanzini_compressed.pdf (4.32 MB)
Towards an improved description of spectroscopies for materials with localized electrons: Effective potentials and interactions	Marilena Tzavala	2017	marilena_these.pdf (4.78 MB)
Ab-initio description of optical nonlinear properties of semiconductors in the presence of an electrostatic field	Lucie Prussel	2017	thesis_Lucie_Prussel_1.pdf (7.86 MB)
Cobaltates in the high-doping regime: Insights from first-principles calculations and extended dynamical mean-field theory	Sophie Chauvin	2016	sophie_these_compressed.pdf (4.8 MB)
Theory of electron spectroscopy beyond the state-of-the-art. An improved description of fermion-plasmon coupling in Green' function calculations	Jianqiang Zhou	2016	thesis_sky_0.pdf (5.23 MB)
Ab initio description of second-harmonic generation from crystal surfaces	Nicolas Tancogne-Dejean	2015	Thesis_Nicolas_Tancogne-Dejean_0.pdf (3.22 MB)
Ab initio electronic stopping power in materials	Abdullah Shukri	2015	these_shukri.pdf (1.36 MB)
Computing optical properties and photo-emission spectra : a new starting point	Igor Reshetnyak	2015	igor_these_compressed.pdf (7.41 MB)
Damping, satellites and multiple excitations in oxides and nanostructures: efficient theoretical and numerical approaches towards a dynamical many-body theory	Lorenzo Sponza	2013	thesis_sponza_compressed.pdf (3.81 MB)
First principles Second-Harmonic Generation in quantum confined silicon-based systems	Matteo Bertocchi	2013	tesi-bertocchi.pdf (3.3 MB)
Dynamical correlation in solids : a perspective in photoelectron spectroscopy	Matteo Guzzo	2012	These_Guzzo_Color.pdf (5.61 MB)
Towards a Novel Approach for the Calculation of Many-Body Green's Functions	Giovanna Lani	2011	thesis-glani.pdf (1.61 MB)
Second Harmonic Generation in Solids : Theory and Simulation	Hannes Hübener	2010	These Hannes.pdf (1.32 MB)
Ab initio Calculations of the Electronic Properties of CuIn(S,Se)2 and other Materials for Photovoltaic Applications	Julien Vidal	2010	Thesis_julien_vidal.pdf (3.39 MB)
Theory and ab-initio calculations of collective excitations in nanostructures: towards spatially-resolved EELS	Ralf Hambach	2010	PhD_Hambach_2010_compressed.pdf (3.66 MB)
Engineering Silicon Nanostructures: theoretical study of the effects of doping with Boron and Phosphorus	Federico Iori	2007	ThesisPhD_FedericoIori_lowres_0.pdf (5.7 MB)
Ab-Initio Calculations of Many body effects in electronic spectra	Matteo Gatti	2007	Thesis_Gatti.pdf (6.09 MB)
Electronic and optical properties of the (111)2\texttimes1 diamond surface: an ab-initio study	Margherita Marsili	2005	tesimarghe_dottorato.pdf (1.55 MB)
Exchange and Correlation in the Electronic Structure of Solids, from Silicon to Cuprous Oxide: GW Approximation and beyond	Fabien Bruneval	2005	bruneval_these_0.pdf (2.83 MB)
Response functions of semiconductors and insulators: from the Bethe-Salpeter equation to time-dependent density functional theory	Francesco Sottile	2003	Tesi_dot_francesco.pdf (2.42 MB)
Semi-empirical and ab-initio calculations of optical properties in semiconductor superlattices	Silvana Botti	2002	tesidottorato_silvana.pdf (1.66 MB)
Optical Absorption Spectra of Semiconductors and Insulators: ab initio calculations of many-body effects	Stefan Albrecht	1999	thesis_stefan_albrecht.pdf (52.97 MB)

Master Thesis

Title	Author	Year	File	Photo
Energy levels and band offsets at interfaces from first-principles: example of asymmetric Hubbard dimer	Jean Goossaert	2024	GOOSSAERT_Jean_M2_report.pdf (1.4 MB)
Analysis and efficient computational scheme for bound and continuum excitons from the Bethe-Salpeter equation	Marc Aichner	2024	Master_Thesis_Aichner_Marc.pdf (12.52 MB)
Quantum Monte Carlo Calculations of Density Matrices of the Helium Atom: What Can We Learn from the Exact Solution?	Carlos Perez	2024	Report_M2_Carlos_Rodriguez_Perez.pdf (899.12 KB)
Development of functionals for observables	Ayoub Aouina	2018	Thesis_Ayoub.pdf (518.43 KB)
Excitonic Effects in Magnesium Oxide: ab initio study	Tetiana Khotiaintseva	2015	thesisTetiana.pdf (1.79 MB)
Proprietes optiques non-lineaires des surfaces : theorie et simulations numeriques	Nicolas Tancogne-Dejean	2012	RapportNicolas.pdf (5.08 MB)
Progress in the theoretical description of photoemission in small systems : a model study	Jianqiang Zhou	2012	7.4.thesis-Jianqiang ZHOU.pdf (4.06 MB)
Ab initio study of microscopic charge fluctuations in graphite	Giulia Pegolotti	2009	tesiPegolotti.pdf (5.67 MB)
Exchange and Correlation effects in the electronic properties of transition metal oxides: the example of NiO	Matteo Guzzo	2009	tesiguzzo.pdf (1.95 MB)
Electron correlation in few electrons system: computational study with Density Functional Theory and Quantum Monte-Carlo.	Francesco Sottile	1999	tesi_laureafrancesco.pdf (979.15 KB)

Habilitation Diriger la Recherche

Title	Author	Year	File	Photo
Theoretical Spectroscopy :: Developments and Applications	Francesco Sottile	2015	hdr_francesco.pdf (13.17 MB)
Electronic excitations in complex systems: beyond density functional theory for real materials	Silvana Botti	2010	HDRbotti.pdf (2.59 MB)