The overarching theme of our research is in silico design of functional materials, including biomaterials. The study of soft matter is central to this research theme. Our current research is focused on designing programmed self-assembly of a range of building blocks, from molecular to microscale, into functional architectures and elucidating the mechanism and kinetics of assembly. To this end our research develops, adapts, and applies computational methods and uses tools of statistical mechanics to study systems of interest in close connection with contemporary experimental research.