Junming Ho

The Mechanism and Modelling Group (MMG) at the University of New South Wales (UNSW), Sydney, is offering two fully funded PhD positions starting in 2026. The first project focuses on developing computational methods, such as QM/MM molecular dynamics, to predict small molecule properties and the thermochemistry of condensed phase reactions, potentially incorporating machine learning to accelerate simulations. The second project involves using computational simulations to design electrochemical nanozymes that promote chemoselective reactions, with close collaboration with experimental groups at UNSW. The group welcomes students from diverse backgrounds, including chemical physics, medicinal chemistry, and synthetic organic chemistry, and projects are tailored to match the student's interests and expertise. The scholarship provides a tax-free stipend of $38,438 per year for 3.5 years. Ideal candidates will have a Bachelor of Science with Honours in Chemistry (First class or equivalent), a strong background or motivation in computational chemistry, reaction mechanisms, and physical organic chemistry, and experience or interest in computational analysis, quantum chemistry, and classical simulations. Excellent problem-solving, communication, and independent working skills are essential. Interested applicants should contact Associate Professor Junming Ho with their CV, academic transcripts, and a 1-page statement addressing the selection criteria. For more information, visit the group’s opportunities page.