to sample more data. Running MD with the trained RMLP, they built a free energy surface to unveil an acidic and a basic pathway during decomposition, which rationalize insensitivity of reaction rates towards the solution pH. They also calculated kinetic rates that are in accordance with experiments and with AIMD. In 2022, Saitta group applied DeepPot-SE to study two representative reaction steps in the Strecker-cyanohydrin mechanism for glycine synthesis in an explicit water solution . They applied AIMD with umbrella sampling and metadynamics to enhance the sampling along predefined path collective variables (pathCV) for a system with one reaction system surrounded by 81 water molecules. Free energy calculations with the final NNP provide consistent activation barriers and free energy changes for the two reactions.