In the specific case of pure silica zeolites, i.e. SiO2 polymorphs, a large number of classical force fields have been used in the literature, with different functional forms or parameterization. Combariza et al. reviewed various existing interatomic potentials , and highlighted that accurate atomistic molecular dynamics simulations have to account for a delicate balance of interactions. Yet, at the same time, it is known that a detailed description of the framework dynamics is key in the understanding of the macroscopic behaviour of zeolites: many of their properties arise from the interplay between the motions of the framework with an external constraint, which can be a change in temperature, the application of a mechanical stress, or the adsorption of guest molecules (in the gas or liquid phase). Computational studies have shown that systematic DFT calculations in the linear response regime under the application of pressure, 2 or in the quasi-harmonic approximation (QHA), allow the calculation of mechanical and thermal properties of pure-silica zeolites. However, these approaches only capture a fraction of the configuration space of zeolitic frameworks, and the computational cost of the more general ab initio MD approach limits its uses.