Speaker
Description
First-principles simulations of electron–phonon interactions (EPI) are key to clarifying the microscopic origin of the ultrafast electron and phonon dynamics revealed by pump–probe experiments. In this talk, I will discuss recent advances in ab-initio simulations of the EPI and their application to light-driven electron and lattice dynamics. Building on recent progress in many-body theory and software, predictive atomistic simulations of complex non-equilibrium phenomena have now become feasible. I will highlight, in particular, non-thermal phonon populations [1], coherent phonons [2], and ultrafast polaron formation as representative examples [3]. This progress forms the basis for a strong synergy between ab-initio theory and experimental ultrafast science.
[1] Pan et al., ACS Nano 19, 11381 (2025).
[2] Emeis et al., Phys. Rev. X 15, 021039 (2025).
[3] Garcia-Herrero et al., arXiv 2601.21810 (2026)