Prof. Jin Zhao’s research group

Our research focuses on first-principles calculations on excited carrier dynamics in different condensed matter systems, trying to understand the behavior of electrons in multiscale, including time, energy, real and momentum space. For this purpose, our group have developed the Hefei-NAMD package. Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density functional theory, GW + realtime BSE and surface hopping methods to investigate ultrafast dynamics of excited carriers and their coupling to other quasiparticles in real and momentum space, energy and time scale.