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Friday, 31 Mar 2023

BA Access for first-principle studies on two-dimensional and layered materials

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Professor Tsetseris’ novel material group was allocated close to 200,000 CPU hours on the BA cluster which they used to analyse the structural, electronic and chemical properties of two-dimensional layered materials using various methods such as density-functional theory. Such materials include graphene and graphene-like materials, and could be used in future modern electronic devices.