Zhuofan’s papers on our new FlexiBLE QM/MM method were just published in J. Chem. Phys. FlexiBLE solves the boundary issue in QM/MM simulations when diffusible particles (e.g. solvent) are included in the QM region. This allows energy conserving ab initio molecular dynamics while rigorously preserving ensemble averages. Some dynamical quantities are even well reproduced. As a first application, we explored the dynamics of the hydrated electron and find good agreement with Resonance Raman spectroscopy. Check out the papers here: doi.org/10.1063/5.0067855 and doi.org/10.1063/5.0067861.