The group actively contributes to the development of the Quantum ESPRESSO software suite, one of the most widely used open-source platforms for nanoscale materials modeling.
Our expertise includes the implementation of advanced computational codes such as turboEELS for electron energy-loss spectra and turboMagnon for spin-wave spectra.
Research activities using Quantum ESPRESSO span a broad range of topics: Computational spectroscopy, including optical absorption, plasmons, magnons, relativistic effects in solids, and the interpretation of experiments such as pump–probe terahertz and photoemission spectroscopy, XPS and XAS, and much more.

The group contributes to the development of DFTK.jl, an open-source Julia library for plane-wave density-functional theory. DFTK provides a compact and highly flexible framework for solving periodic Kohn–Sham equations, designed to facilitate methodological innovation and interdisciplinary collaboration.

Despite its concise implementation of about 7,000 lines of pure Julia DFTK delivers performance comparable to large-scale production packages such as Abinit, Quantum ESPRESSO, and VASP. Its source code is freely available on GitHub.

We are currently working on improving the efficiency of DFTK.jl by incorporating randomized algorithms.