This is the first time that rigidity theory has been applied to such a complex material. Importing glass science tools to C-S-H brings new ideas to predict the effect of composition on cement...

This study examines the rate controlling step that leads to a better understanding of how to use supplementary cementitious materials such as slag and fly ash to produce more sustainable mixes....

This research provides new information about polymorphs of belite obtained by atomic scale modeling. Results of impurity defects, which vary reactivity for γ-C2S and β-C2S polymorph, can be used...

The model quantitatively predicts sorption hysteresis in hardened cement paste. By answering the basic question, “Where is the water?” it paves the way for bottom-up descriptions of diverse...

We propose a new approach to study fracture properties by molecular simulation valid for both brittle and ductile materials. This research highlights the possibility to understand and engineer the...

The novel approach leverages Statistical Physics to describe the complexity of cities in terms of molecular structures. This provides city planners and developers with innovative texture...

This research highlights the critical role of the crystal structure of alite and belite on the dissolution energetics. This novel understanding of the dissolution chemistry eventually holds the...

This research provides new information about the mechanisms that control the decrease in reactivity of alite during the induction period. This information can only be obtained by detailed atomic...

This unique bottom-up approach developed by the CSHub combines information from atomistic and colloidal simulations with the coarse-grained lattice-gas model allowing validation of the cement...

We validate the computational prediction that Ca/Si ~ 1 creates significantly stiffer and harder C-S-H than in OPC pastes, with direct consequences for concrete performance and environmental...