From: jobs at ccl.net (do not send your application there!!!)<br />
To: jobs at ccl.net<br />
Date: Wed Feb 25 18:17:10 2026<br />
Subject: <STRONG>26.02.25 PhD Positions in Multi-Scale Simulations + AI in Drug Discovery and Artificial Enzymes at UNSW (Sydney, Australia)</STRONG><br />

<pre>Two PhD scholarships are available in the Mechanism and Modelling Group 
in the School of Chemistry, the University of New South Wales in
Sydney, Australia.

PROJECT 1 is concerned with the development of efficient computational 
          methods (e.g. QM/MM molecular dynamics) to reliably predict 
          molecular properties (e.g. membrane permeability) and 
          enzyme-ligand binding that are crucial for drug design. 
          These studies could involve machine learning.

PROJECT 2 will use computational simulations to design electrochemical 
          nanozymes to promote chemoselective reactions. The candidate 
          will work closely with experimental groups based at UNSW.


Research scholarships are valued at $38,438 AUD per annum (tax-free) 
for 3.5 years + support for conferences/summer schools. 

The ideal candidate should demonstrate the following:

1) A Bachelor of Science with Honours in Chemistry/Physics 
   (1st class or equivalent).

2) A strong background and/or motivation for research in 
   computational chemistry, reaction mechanisms and physical organic 
   chemistry.

3) Experience and/or strong interest in computational analysis, 
   quantum chemistry (periodic DFT calculations for Project #2), 
   classical simulations and coding.

4) Excellent problem-solving and strong writing/communication skills 
   and ability to work independently. 

For more information on research in the group - 
see <a href="https://sites.google.com/view/mmg-unsw/home" target="_blank">https://sites.google.com/view/mmg-unsw/home</a></pre>
<pre>


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Interest applicants should email A/Prof Junming Ho 
(junming.ho"at"unsw.edu.au) with their CV, academic transcripts and 
a 1-page statement addressing the selection criteria.

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