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

water and solutions • ices • clathrates • crystallization • biological ice nucleation • amorphous ices • shear-driven transformations • silica • synthesis of zeolites and porous crystals • mesophases • fuel cell membranes • ion and water transport • water uptake • electrochemically generated nanobubbles • electrocatalysis • coarse-grained models • molecular dynamics • monte carlo • kinetic monte carlo