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Materials discovery and design from quantum mechanics-based computational approaches

Understanding novel physics in nanoscale materials is critical for the development of modern electronics technology.However, such delicate materials are difficult to manipulate and characterize experimentally because of their tiny size. This raises the conundrum of how to proceed forward quickly with exploration and subsequently design of properties.In principle, materials properties are determined by the electronic structure. Quantum mechanics based computational approaches are able to address fundamental electronic, optical and magnetic properties in such materials.This provides a powerful complement to the …

Study level
PhD, Master of Philosophy, Honours
Science and Engineering Faculty
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science

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