The Computational School on Electronic Excitations in Novel Materials Using the Yambo Code, introduces participants to post-DFT simulations, in particular many-body perturbation theory (MBPT) approaches and provide training in the calculation of electronic and optical properties of materials.
The program will offer theoretical and technical lectures, as well as dedicated hands-on sessions where the students will learn the use of the Yambo code in a massively parallel environment and post processing tools for the analysis of the results. The main topics covered range from introductory lessons on MBPT concepts through to more advanced topics in materials science. General topics include the diagrammatic approach, self- energy and quasiparticles, the GW approximation, linear response, and the Bethe-Salpeter equation. Strong focus is given on connection with experimental observables (from photoemission, absorption, photoluminescence). Advanced topics will address real time evolution of equations of motion, time dependent polarization in terms of the Berry phase, computation of non-linear optical properties.
Participants are required to have a pre-existing background in DFT and in running DFT simulations.