Ab initio many-body perturbation theory: from equilibrium to time-resolved spectroscopies and nonlinear optics

The school will introduce many-body perturbation theory approaches to firstprinciples simulations on the excited states of materials using the YAMBO code. Advanced nonequilibrium techniques for ultrafast spectroscopy will also be introduced along with the CHEERS code.

Both theoretical and technical lectures will be offered as well as dedicated hands-on sessions about using the codes in realistic simulations. General topics will include quasiparticles with the GW approximation and excitons via the Bethe-Salpeter equation. Advanced topics comprise nonlinear optics and time-resolved dissipative dynamics via nonequilibrium Green’s function theory. Each topic will be introduced with a general overview of experimental measurements and/or physical problems, with a clear link to the hands-on sessions.

Participants are required to have a preexisting background in DFT and in running DFT simulations.

YAMBO is a flagship code of the MaX Centre of Excellence and of the recently established ICSC PNRR Italian National Centre for HPC, Big Data and Quantum Computing.

CHEERS is a simulation tool for correlated hole-electron evolution from real-time simulations developed at the University of Rome Tor Vergata.

More information and applications here.

Scientific committee: Daniele Varsano (CNR-NANO Modena), Myrta Grüning (Queen’s University Belfast), Maurizia Palummo (University of Rome Tor Vergata), Davide Sangalli (CNR-ISM Rome),  Fulvio Paleari (CNR-NANO Modena), Alejandro Molina-Sánchez (University Of Valencia)

Organizing committee: Daniele Varsano (CNR-NANO Modena), Maurizia Palummo (University of Rome Tor Vergata), Davide Sangalli (CNR-ISM Rome), Olivia  Pulci (University of Rome Tor Vergata), Matteo D’Alessio (University of Modena and Reggio Emilia), Maria Bartolacelli (CNR-NANO Modena), Susanna Cavicchioli (CNR-NANO Modena)