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About
This school provides a path from many-body theory to advanced computational practice, focusing on the approximation for quasiparticle band structures and the Bethe–Salpeter Equation (BSE) for optical properties. Attendees will master the full YAMBO workflow, from ground-state processing to converged excited-state calculations and detailed exciton analysis. Practical sessions will emphasize HPC aspects, teaching participants to leverage MPI/OpenMP parallelization and GPU-acceleration to handle large-scale, realistic materials on modern supercomputing platforms.
Prerequisites
Participants should have a background in Quantum Mechanics and Solid State Physics, along with a functional understanding of Density Functional Theory (DFT). Basic proficiency with the Linux command line is required for navigating the HPC environment, and familiarity with a DFT code (such as Quantum ESPRESSO) is highly recommended.
Technical requirements
Participants must have a terminal emulator (e.g., Terminal on macOS/Linux or PowerShell/CMD on Windows) and an SSH client to access the remote HPC machine (Karolina). Yambo will be preinstalled together with the needed material to follow the tutorial. Plotting tool such as Gnuplot or Python with Matplotlib is required.
Tutors
Daniele Varsano, Giacomo Sesti, Andrea Ferretti, Matteo D’alessio, Fulvio Paleari, Nicola Spallanzani, Claudia Cardoso, Lubomir Riha, Filip Vaverka.
This course is organized in collaboration with MaX CoE and NCC Czechia.
More information about the course: https://events.it4i.cz/event/393/
Registration: https://events.it4i.cz/event/393/registrations/300/