Category Archives: publications

New talks at the 2017 ETSF conference in Frascati

Here my new two talks at the 2017 ETSF conference in Franscati. The first on Scientific Publishing and the SciPost journal where I will discuss the actual situation of the scientific publishing system and how new green open access journal, like SciPost, could change it. The second talk on the Lumen code, an ab-initio code… Read More

Modeling excitons in bulk and single-layer hBN

New paper on excitations in hexagonal Boron-Nitride. Core and low energy electronic excitations have been studied in hexagonal boron nitride by means of angular resolved electron energy loss spectroscopy and theoretical calculations. Paper: Angular resolved electron energy loss spectroscopy in hexagonal boron nitride Poster: Modeling excitons in bulk and single-layer hBN

How many theoreticians do you need to make a good paper? (probably no more than three)

I just attended a seminar on network theory. The speaker[1] presented some interesting results on the reconstruction of communities in static or temporal networks. The talk was clear and the results well presented, but the thing that impressed me more were the references. The results, he had shown, were produced from 2012 to 2015 and… Read More

Review on GW and Bethe-Salpeter for molecular systems

We just published a new review on GW and Bethe-Salpeter (BSE) for molecules. In the review we discuss electronic excitations both in TDDFT and  in the Green’s function approach.  The successes and failures of the different methods are presented. In particular we focused on charge-transfer excitations for which the photoexcited electron and the hole left… Read More

Excitons in second harmonic generation

Together with Myrta Gruning we just submitted a new paper on second harmonic generation(SHG)  in two-dimensional materials, h-BN and MoS2. We calculated the SHG using a real-time approach that we recently developed. We included both local field effects and electron-hole interaction at the level of screened exchange , without any additional approximation. Our approch is… Read More

Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes

I published my first “Nature”, even if the lower level one, a Nature Scientific Reports: Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible Claudio Attaccalite, Ludger Wirtz, Andrea Marini & Angel Rubio Scientific Reports 3, Article number:2698 Boron nitride is a promising material for nanotechnology applications due to… Read More

Nonlinear optics by means of the dynamical Berry-phase

We present an ab-initio real-time based computational approach to nonlinear optical properties in Condensed Matter systems[1]. The equation of motions, and in particular the coupling of the electrons with the external electric field, are derived from the Berry phase formulation of the dynamical polarization.[2] The zero-field Hamiltonian includes crystal local field effects and the renormalization… Read More

Optical excitations in a paradigmatic model dipeptide

We just post on arxiv a new paper on the optical excitations in a paradigmatic model dipeptide, here in the figure. We studied local and charge transfer excitations by means of state of the art GW and Bethe-Salpeter equations as implemented in the FIESTA code. In particular we focused on the effect of self-consistency in… Read More