A review of coarse grained and mesoscale simulations of C–S–H

The nano-to-micro mesoscale is crucial for cementitious materials; here reactions and interactions between molecules produce complex mechanisms that determine the behavior of cement minerals, especially C-S-H. This manuscript reviews current state art in coarse-grained simulations These leverage a rigorous statistical mechanical framework, linking atomistic description with modelling through several pivotal concepts: potential mean force, ion-ion correlations charged surfaces, grand canonical reactive ensemble. second part discusses effective interaction potentials C-S-H particles are currently used, followed by methods to simulate formation. Structural, physical properties predicted existing then presented. Finally highlights opportunities future research, which driving multi-scale but also other mesostructured materials.