WiB Team

Research focus

• Advanced quantum-atomistic simulations for analyzing the properties and behavior of cementitious materials and alkaline aluminosilicate gels (geopolymers).
• Atomistic computations of dissolution kinetic energy in supplementary cementitious materials for enhanced understanding of their reactivity.
• Mesoscopic forward dissolution rate using the Kinetic Monte Carlo (KMC) computational upscaling approach.
• Multiscale modeling of nucleation and dissolution reaction rates in cement.