It is important to note that, compared to the number of computational studies focusing on mechanical properties, thermal behavior is still a much more open question. The root cause for this is to be found in the greater computational expense of the methodology. Thermal properties are typically calculated through long molecular dynamics (MD) simulations: those require the use of a classical force field, accurately describing the full flexibility of the framework. Such calculations are therefore difficult to perform at large scale, as "universal" or "transferable" force fields have limited accuracy in their description of intra-and intermolecular interactions. In another approach, thermal properties such as heat capacity and thermal expansion can be approximated through the determination of the vibrational modes of the framework (or phonons). Such harmonic or quasi-harmonic calculations can be performed at the DFT level, but are very expensive for large frameworks: they computational cost scales with the number of atoms. In order to push in this direction, our group published in Ducamp et al. the first systematic study of the thermal properties of 134 all-silica zeolites (SiO 2 polymorphs) based on DFT calculations in the quasi-harmonic approximation -i.e., in the limit of low temperature. We showed that zeolitic frameworks feature a wide range of thermal expansion coefficients, highlighting the great influence of the framework topology over this physical property. This approach also allowed us to compute the bulk modulus for each structure, but also its pressure and temperature dependence, something that was not accessible in previous linear response calculations. We confirmed that zeolitic frameworks can display pressure-induced softening, something which had been seen in a few cases experimentally, and could quantify this behavior, showing it is in fact the case for most zeolites. Moreover, this statistical exploration of the thermo-mechanical behavior of zeolites gave some hints at the challenging question of experimental feasibility of zeolitic frameworks, identifying that experimentally synthesized structures correspond to a restricted range of the bulk modulus, K 0 , and its first derivative, K ′ 0 .