RILEM Technical Committee · 2025–2030 · Chair
RILEM TC ASM
Atomistic Simulations for Cement-Based Materials: Recommendations and link to Experiments
TC ASM brings together the molecular simulation and experimental communities working on cement-based materials. It reviews the atomic structures and force fields used to model clinker phases, cement–water suspensions and hydrated pastes, recommends modelling tools, and benchmarks simulation results against experiments.
Working groups
| WG1 | Atomic structures and force fields Curated structures for C-(A)-S-H, ASR products, AF-phases and other phases; review of classical and machine-learning force fields |
| WG2 | Chemical transformations Dissolution, precipitation and growth; advanced sampling and free-energy methods |
| WG3 | Interfacial processes and confined fluids Adsorption, ion and water transport, sorption-induced deformation |
| WG4 | Mechanical, thermal and electromagnetic properties Elastic, thermal, conductivity and dielectric properties compared with experiments |
| WG5 | Mesoscale modelling Effective interactions from the molecular scale and coarse-grained simulations |
Planned outputs: a topical collection in Materials and Structures, an open-access database of structures and tools, and tutorials on recommended modelling practice.
Opening letter
RILEM Technical Letters 11 (2026), 89–100. Open access.
Learn more or join
Members, meetings and news are on the committee's official RILEM page.