Date: Nov 11 - 13, 2025 Venue: Zoom event
We invite you to participate in a three-day workshop: “Electron-phonon interactions in VASP”. You will be introduced to electron-phonon interactions, a new feature in VASP, and how it affects physical observables.
A foundation in phonons from first principles will form a prelude to electron-phonon interactions. In this first lecture, phonons will be presented from a theoretical and computational perspective. You will then step from theory to application, performing phonon calculations in an accompanying hands-on session. Each lecture will be delivered by experts and followed by a Q&A session afterwards.
Having covered the basics of phonons, you will be introduced to electron-phonon interactions, combining electronic and vibrational degrees of freedom. In this second lecture, you will be guided through the theory of electron-phonon interactions and how to calculate the renormalized bandgap. Two approaches will be described: the stochastic sampling approach and many-body perturbation theory, which you will then apply in the associated hands-on session.
The third and final lecture will cover electronic lifetimes and transport properties from electron-phonon scattering. These properties include the conductivity of metals, the mobility of charge carriers in semiconductors, and doping. Thermal conductivity, thermoelectric coefficients, and the ZT figure of merit will also be introduced. The third and final hands-on session will help you develop your confidence with these calculations.
The theory and techniques that you learn in this workshop will add electron-phonon interactions to your toolkit.
Note: This workshop will not include superconductivity or Raman scattering.
For those interested in preparing, a phonon lecture is available on our YouTube channel.
Registration opens on September 15, 2025. Please save the date because the number of spots is limited.