Dear all,

We are excited to announce a workshop on PERTURBO, our software package for first-principles calculations of electron interactions, transport, and nonequilibrium dynamics (https://perturbo-code.github.io). The workshop will be held both in person (at Caltech, in Pasadena) and remotely via Zoom, on September 21-22, 2023. Lectures will be offered in-person and streamed on Zoom on Sept. 21. In-person participants will also attend hands-on sessions on Sept. 22. The workshop will cover both theory and practice, focusing on the topics listed below.

 

We encourage interested students and postdocs to register for the workshop using this Google form (please click here). The deadline to register for the in-person workshop has been extended to August 31, and the deadline to register for the zoom workshop is September 15. Registrants to the in-person workshop should provide a CV and a brief  motivation statement in the form. We will select and notify in-person attendees; those not selected will be automatically registered for the Zoom workshop. Unfortunately, we are unable to offer financial support to attend the workshop at Caltech.

 

Best regards,
Marco Bernardi, on behalf of the Perturbo team

Topics covered in the workshop:

–  Theory of electron-phonon (e-ph) interactions and transport / ultrafast dynamics in the
Boltzmann equation framework and beyond.
– Code download, build and setup. Preliminary steps and interface with other codes (DFT/DFPT with Quantum Espresso, Wannier function generation with Wannier90). Postprocessing with Perturbopy.
– Tutorials and hands-on sessions: calculations of e-ph matrix elements and scattering rates; charge transport and ultrafast electron dynamics in the Boltzmann eq. framework.
– Advanced topics and recent developments, including: e-ph interactions in the presence of anharmonic phonons, polarons, excitons, spin-orbit coupling, and strong correlations; spin-phonon interactions and spin relaxation times; magnetotransport; electron-defect interactions; high-field transport and velocity-field curves; data-driven methods (among others).