The Mechanism and Modelling Group

UNSW, Sydney

Welcome and thank you for visiting our group page. The Mechanism and Modelling Group (MMG) is a computational chemistry research group based in the School of Chemistry at the University of New South Wales, Sydney.

Our research focuses on the development and application of computational methods to predict molecular properties, chemical reaction mechanisms and understand structure-activity relationships. This insight is crucial for the rational design of improved chemical reagents, materials and drug molecules.

Please get in touch if you like to find out more about our research or for potential research opportunities.


Upcoming Meetings:

10th Asia Pacific Conference of Theoretical and Computational Chemistry @ (19-23 Feb 2023, Quy Nhon Vietnam)

Organic and Medicincal Chemistry OMC 2022 @ (20-23 Nov 2022, Wollongong)

Past Meetings:

Southern Highlands Conference on Heterocyclic chemistry @ (28-30 Aug 2022, Kiama)

RACI 2022 National Congress @ (3-8 July 2022, Brisbane)

WATOC 2020 @ (3-8 July 2022, Vancouver)

6-Jun-2022: Congratulations to Afiqah who was awarded the 2022 School of Chemistry Black top-up PhD scholarship.

8-Dec-2021: Congratulations to Junbo who won the oral presentation prize at the MM2021 conference!

5-Nov-2021: Isolde and Shaleen's work (in collaboration with Dr. Bun Chan at Nagasaki University) on predicting anion binding affinities is published in JPCA!

6-Aug-2021: Junbo and Jin's work on the accuracy of QM/MM models is published in JPCB. Check it out if you like to know how accurate these models are!