Consequently, given a definition of atomic radii, it is possible to define a surface on which to carry out other types of simulation such as neural network potential, DFT or any other force fields. Although the accuracy or relevance of such a sampling remains an open question, the approach will undeniably speed up the simulations. This could even be applied to calculate adsorption enthalpies while considering intrinsic structure flexibility, 46 a task whose main drawback is the high computation time required. Since surface sampling is hundred of time faster than standard methodologies, we could use hundreds of snapshots in a flexibility-aware calculation.