Our work on "Anomalous screening in narrow-gap carbon nanotubes" just published in Physical Review B Congratulation to Giacomo Sesti CNR Istituto Nanoscienze and all the team! Many thanks to MaX CoE @PRACE_RI Cineca Quantum ESPRESSO and the #Yambo team. #compchem journals.aps.org/prb/abstract/1…

The paper "Numerically Precise Benchmark of Many-Body Self-Energies on Spherical Atoms" was published in JCTC JCTC Papers. Congratulations to Simone @s_vacondio and all the team. Many thanks to MaX CoE. #compchem

The next ETSF seminar will be given by Anna Galler MPI for the Structure and Dynamics of Matter MPI für Struktur und Dynamik der Materie on Friday May 20 at 14CEST Tackling nonlocal electronic correlations with the dynamical vertex approximation #compchem etsf.eu/node/277 psi-k.net/events/etsf-on…

Registration is finally open for the 18th edition of the Young Researchers’ Meeting (YRM) of the European Theoretical Spectroscopy Facility, which will be held in​ Marseille (France) from 5 to 9 September 2022. etsfyrm2022.com Deadline July 1st

Yambo 5.1 just released. In the new version, testing and stabilization were finalized, the code structure and modularization were refined, and performance and memory footprint were improved. Yambo 5.1 also includes new features. #compchem Release notes: github.com/yambo-code/yam…

Strategies to deal with the many-body problem in materials: a unified view on functionals. Don't miss Lucia Reining at CECAM Mixed-Gen event: Electronic energies beyond Density Functional Theory June 9 15 CEST: Info and link at: cecam.org/workshop-detai… #compchem

Familiar? In the mid of the final 5th grade exam period and instead of practicing his French or his derivatives he found a book I took from the shelve for one of the PhD. students:

Proud of my PhD student Laura Galleni giving a talk at the ETSF conference in Leuven. Well done Laura!

Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response Virtual tutorial from 9 to 11 November 2022. Info and registration at: sites.google.com/view/hubbard-k…

Nominations are open for the Walter Kohn Prize. The Prize is awarded to a young scientist for outstanding contributions in the field of quantum-mechanical materials performed in a developing country or emerging economy. More info at: ictp.it/about-ictp/med…

Lucia Reining "From models to materials: a bridge to overcome the many-body problem" first plenary talk at the #PsiK2022 conference Psi-k

Just out online, a #compchem approach to calculate XPS spectra of polymers at the GW level of theory. Daniel Escudero Masa Laura Galleni The full story at: doi.org/10.1021/acs.jp… ETSF

Registration are open for the 4 days workshop and hands-on on Efficient materials modelling on #HPC with Quantum ESPRESSO, #Yambo and #BigDFT organized by ENCCS - EuroCC National Competence Centre Sweden and MaX CoE. Applications and tentative program at: enccs.se/events/2022-11…

On Nov. 3rd, don't miss the next CECAM NCCR-MARVEL Classics: "Simulation methods for spin glasses with applications in optimization" ! Join us at 15:00 CET to listen and interact with our speakers Giorgio Parisi (Sapienza Università di Roma) & Marc Mezard (Università Bocconi) cecam.org/lecture-detail…

Tomorrow 28th October 3PM CEST @MaterialsSquare webinar:"First-principles calculations of electron-phonon interactions" by Prof. Feliciano Giustino (UT Austin) #compchem Registration at: materialssquare.com/webinar

Effect of uniaxial strain on the excitonic properties of monolayer C3N: A symmetry-based analysis just published in Physical Review B congrats to Matteo Zanfrognini CNR Istituto Nanoscienze and all the team. Many thanks to MaX CoE, Quantum ESPRESSO,Cineca. #compchem journals.aps.org/prb/abstract/1…

The next ETSF seminar will be given by Dr. Alberto Guandalini (University of Rome La Sapienza ) on April 28 at 14CEST. Efficient MBPT calculations in 2D materials via the interpolation of the screened interaction: GW corrections and EELS spectra #compchem etsf.eu/index.php/node…

ETSF workshop at its best! Lively discussions at UvA Amsterdam