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Date: Fri Sep 15 05:34:47 2017
Subject: 17.09.15 PhD scholarships in Computational Chemistry and Biomolecular Simulations, UNSW, Sydney (Australia)
Two fully funded PhD scholarships (starting from 1 Jan 2018) are available 
for talented students to join the Mechanisms and Modelling Group (MMG) at 
the University of New South Wales in Sydney (Australia). 

In the MMG, we develop and apply methods of computational chemistry to 
elucidate the mechanisms underlying many catalytic processes in synthesis and 
in biochemical systems. This enables us to design more effective catalysts or 
reactions that our experimental colleagues can test or implement in practical 
applications. Topics of particular interest include, but are not limited to 
homogeneous and heterogeneous catalysis, supramolecular chemistry, and 
fundamental physical organic chemistry. 

Visit our website ( for further details.

Broadly, the two projects on offer will focus on computer-aided design of new 
molecular receptors for catalysis, and medicinal and sensing applications. 

The candidate will develop and apply robust multiscale procedures towards 
predictive modelling of these molecules. This includes 
	*high-level ab initio methods, 
	*hybrid quantum mechanics/molecular mechanics (QM/MM) procedures, 
	*molecular dynamics simulations and 
	*quantitative structure-activity relationship (QSAR) modelling 

In addition to the scholarship, support will also be provided for attendance at 
international conferences, as well as research attachments with our collaborators 
in Europe and the USA. 

Students with a strong background in physical and organic chemistry are 
encouraged to apply. Applicants are expected to have completed a 
Bachelors degree with Honours (first class or equivalent) or Masters degree 
in the physical sciences. Proficiency in written and spoken English is essential.

To apply, please send a cover letter and CV, including contact details of 2-3 referees to 
Dr. Junming Ho ( Informal enquires are most welcome.

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Modified: Fri Sep 15 09:34:48 2017 GMT
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