Van der Ven's research seeks to develop first-principles descriptions of non-equilibrium processes in the solid state with a particular goal of generating an understanding of the mechanisms of phase transformations that couple diffusion and structural changes. His group develops and applies first-principles statistical mechanics methods to predict equilibrium and non-equilibrium materials properties. They study a wide range of materials classes, including transition metal oxides and sulfides for energy storage and conversion devices, metallic alloys for aerospace and automotive applications and oxides and hydrides of importance in corrosion processes in nuclear applications.