What is the nature of the C-C complex in silicon? Insights from electronic structure calculations

In this work we studied the C-C defect complex in silicon. We used different approaches in such a way to identity the defect configuration responsible for the strong light emission in irradiated silicon. Our clues point towards a particular configuration, even if we suspect that in a damaged sample different type of complexes could be… Read More
Optical properties of extended systems within a current-current response formalism: tips and tricks

In this work we compare the optical absorption of extended systems calculated starting from the density-density and current-current linear response formalisms within the equilibrium many-body perturbation theory(MBPT). We show how, using the latter, one can incur in errors due to quasiparticle lifetimes, electron-hole interaction or the presence of a Drude tail. These errors are found… Read More
The SciPost journal

Recently I joined the SciPost journal as editor fellow. It is the first time that I work as editor for a journal. At the beginning I thought that this role would have taken me much time but then I realized that the editor work often takes less time than that of the referees. Probably in… Read More
RPA calculations with Yambo for large systems

Performing RPA calculations with yambo in large systems can be a problem due to the memory requirement. In fact the code does not distribute the dielectric constant at the different frequencies among the processors. The solution is to run different calculations for each frequency of the dielectric constant and then joind the outputs. Here my… Read More
Théorie et Simulation Numérique at CINaM
Many-body perturbation theory for electronic and optical properties of organic systems

My new talk on Many-Body Perturbation Theory (MBPT) in chemistry is online. If you want to know what MBPT can do in finite systems have a look to this talk. There is an historical introduction and then I discuss different approximations as GW, BSE and present applications in organic chemistry. More recent progresses are presented… Read More
My thesis for the Habilitation à Diriger des Recherches

The first draft of my thesis for the accreditation to direct research (Habilitation à Diriger des Recherches) is available online. The thesis covers my studies of the non-linear response in solids and nanostructures by means of real-time simulations. In the thesis I discuss how to couple electrons and external fields by means of Modern Theory… Read More
New poster on real-time DPFT

A new poster on our work on real-time density polarization functional theory. In presence of a time-dependent macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic polarization P as key quantities. We show that a simple… Read More
Post-doctoral position : “Optical properties of 2D materials”( within the framework of the E.U. Graphene flagship)

A 18 month post-doctoral position is available, from September 1st 2016, at the “Laboratoire d’Etude des Microstructures” (http:// http://lem.onera.fr/) in strong collaboration with the “Centre Interdisciplinaire de Nanoscience de Marseille” (http://www.cinam.univ-mrs.fr/), as part of the European Union Graphene Flagship project (http://graphene-flagship.eu/). Since graphene takeoff in the 2000’s, the field of two-dimensional systems has been gradually… Read More