First-principles calculations of ideal strength of solid materials are extended to calculate the ideal strength of nano-structured materials, to study the effects of artificial structures (including artificial chemical composition: such as new materials with new chemical elements, and artificial geometric structure: such as nano-thin films, nano-wires and nano-composite materials, etc.) on the resistance of the material strengths against the externally applied stresses, to design new nanostructured materials with improved inherent strengths. We also collaborate with the experimental groups to study the structural stability of various small quantum systems, as well how different structures will affect the electronic band structures and magnetic properties of these small quantum systems using atomistic simulations.
