Reaction exploration with minimal prior chemical knowledge is made possible by Reactive Molecular Dynamics (RMD) , which calculates the Potential Energy Surface (PES) of a molecular system across many configurations. As with the methods mentioned above, potentially relevant reactions can be identified by finding transition states (TSs) alongside activation energies, however, RMD does not rely on pre-existing reaction patterns. Instead, new products are formed by forces and energy calculations from either ab initio quantum mechanics (such as Density Functional Theory (DFT)) or empirical (e.g., ReaxFF ) and semi-empirical approximations (e.g., GFN-xTB ). RMD has been successfuly applied to retrieve reaction networks in small scale ab initio nanoreactors and larger simulations especially with ReaxFF and AutoMeKin .