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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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the development of hierarchical computational materials discovery schemes combining random structure searching, machine learning, atomistic, and density functional theory (DFT) calculations to accurately and
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(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A
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(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A