In our laboratory, we primarily use molecular dynamics simulations to study the behaviour of molecules at a variety of interfaces that are relevant to sustainable engineering, health and disease. These include interactions of proteins, biomolecules and antimicrobials interacting with biological membranes to understand bacterial and viral infections. In the area of sustainable engineering, we study the structure and dynamics of fluids with microporous and 2D materials for carbon capture, gas-liquid mixture separations and water purification.