Our research focuses on the discovery and design of biomaterials and nanomaterials guided by multiscale simulation and model developments. We develop and apply computational tools for simulations of inorganic and organic compounds at a scale of 1 to 1000 nm, including the Interface force field and a surface model database. These potentials and surface models provide the most accurate coverage for many compounds and are extended towards the entire periodic table and modeling of chemical reactions. Key areas of research using these and other tools include the development of new generations of catalysts for fuel cells and biofuel conversion, strong and lightweight composite materials, as well as biominerals and vehicles for drug delivery. A key strength is the simulation of biotic-abiotic interactions in highest accuracy. IFF is also widely applied for the simulations of building materials.