2426 The CTY software package can identify complex reaction mechanisms and derive rate constants from a single MD trajectory, as was demonstrated for high-temperature methane combustion 24 and H 2 + O 2 reactions with coupled recalculations via QC. 26 For the present work, we have extended CTY by an algorithm that explores the PES by subsequently starting further simulations for obtained products, facilitated by parallel simulations and acceleration by CVHD.