We investigate the interplay between microscopic structure, dynamics and phase transformations in materials using computer simulations and theory

structure of liquid water • thermodynamic anomalies • hydration thermodynamics • water-mediated interactions • supercooled water • solvation structure and association of ions in water • hydrophobic attraction • wetting-drying transitions • nucleation and growth of ice • mechanisms of formation of clathrate hydrates • heterogeneous nucleation of ice on aerosols • fuel cell membranes • quasicrystals • liquid crystals • coarse-grained models • tetrahedral liquids • capillary condensation • confined ices