Dr Lijuan Yu

Postdoctoral Fellow
College of Science


Lijuan complested her PhD at the University of Western Australia (UWA) in 2017. She is doing her postdoc with Prof Michelle Coote at ANU.

Researcher's projects

She is interested in investigating reactions mechanism through quantum mechanical calculations, e.g. ab initio, density functional theory (DFT), composite methods, quantum mechanics/molecular mechanics (QM/MM) simulations. ect.. Now she is working on the effects of external electric field on the barrier heights of SN1 and SN2 reactions, catalytic metal-organic framework (MOF), QM/MM MD simulations for enzymatic system.

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Updated:  04 December 2021 / Responsible Officer:  Director (Research Services Division) / Page Contact:  Researchers