R. Pellenq

Machine Learning Potential for Calcium Silicate Hydrates With Broad Compositional and Structural Diversity

ABSTRACT Calcium silicate hydrate (C–S–H), the primary hydration product of cement, governs the strength and durability of concrete but remains difficult to model due to its chemical heterogeneity and disordered nanostructure. Machine learning potentials (MLPs) offer a route to extend quantum accuracy to large‐scale si...