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

纳米到微米的中尺度对于胶凝材料至关重要；在这里，分子之间的反应和相互作用产生了复杂的机制，这些机制决定了水泥矿物的行为，尤其是 CSH。这份手稿回顾了 CSH 粗粒度和中尺度模拟的最新技术。这些模拟利用了严格的统计力学框架，通过几个关键概念将原子描述与粗粒度建模联系起来：平均力势、带电表面之间的离子-离子相关性和大规范反应系综。手稿的第二部分讨论了当前使用的 CSH 粒子之间的有效相互作用势，然后是模拟 CSH 形成的方法。结构，然后呈现由现有模拟预测的物理和机械性能。最后，手稿强调了未来研究的机会，这些机会正在推动 CSH 以及其他介观结构材料的多尺度建模。