The Voronoi sampling and the surface sampling presented in this article are examples of biased sampling methods, following this idea. The change of sampling technique can dramatically improve the computation time required, and even a slight improvement in computational efficiency can have a non-negligible impact when dealing with datasets containing thousands of structures. This article focuses on biased sampling techniques to speed up adsorption enthalpy calculations. As a proof of concept, we only consider monoatomic adsorbates (in our tests, we used xenon) or adsorbates that can be modeled as spherical (which is common in molecular simulations of species such as CH 4 ). However, the methodology can be adapted to rigid polyatomic adsorbates, where the algorithm would need to be adapted by sampling the rotational degree of freedom of the adsorbed molecule.