Overview

Two PhD scholarships are available in the Mechanism and Modelling Group, School of Chemistry, University of New South Wales, Sydney, Australia. Project 1 focuses on developing efficient computational methods (e.g., QM/MM molecular dynamics) to predict molecular properties relevant to drug design, possibly incorporating machine learning. Project 2 uses computational simulations to design electrochemical nanozymes for chemoselective reactions and will involve close collaboration with experimental groups at UNSW.

Scholarship Details

Research scholarships are valued at $38,438 AUD per annum (tax‑free) for 3.5 years, with additional support for conferences and summer schools.

Ideal Candidate

- Bachelor of Science with Honours in Chemistry or Physics (first class or equivalent).




- Strong background or motivation for research in computational chemistry, reaction mechanisms, and physical organic chemistry.
- Experience or robust interest in computational analysis, quantum chemistry (periodic DFT calculations for Project 2), classical simulations, and coding.
- Excellent problem‑solving, writing, and communication skills with the ability to work independently.

Application Process

Interested applicants should email A/Prof Junming Ho at with their CV, academic transcripts, and a 1‑page statement addressing the selection criteria. For more information on research in the group, visit

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📌 PhD: Multi-Scale Simulations + AI for Drug Discovery (City of Sydney)
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