Prof. Guo’s group focuses on integrated theoretical and experimental approaches for the design and development of highly functional atomic clusters, nanostructures and materials, as well as their synthesis and manufacturing processes. Particular materials systems include molecules, 2D structures / graphene, metal and ceramic nanostructures, and structural alloys and composites. Fundamental theories are coupled with ab initio, molecular dynamics, cellular automata and finite element simulations for materials discovery, while selected materials are harnessed by polymerisation, sol-gel, mechano-chemical / mechano-electrorheological exfoliation, P/CVD/Atomic Layer functionalization, co-precipitation, self-assembly, 2D/3D printing and molecular architecturing.