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PhD scholarship in Australia (Sydney) in Computer-Aided Design of Organocatalysts

  • Full or part time
  • Application Deadline
    Monday, September 30, 2019
  • Funded PhD Project (Students Worldwide)
    Funded PhD Project (Students Worldwide)

About This PhD Project

Project Description

A fully funded PhD scholarship (AUD$27,596 per annum) is available in the Mechanism and Modelling Group (MMG) at the University of New South Wales (Sydney, Australia). It is open to all nationalities and is available to start as soon as possible.

The successful PhD candidate will work on the development and application of computational methods to understand how novel catalysts mediate difficult chemical transformations. This understanding will be used to guide experimental efforts as well as design improved reagents. As part of this project, the student will develop robust methods to model solvent effects on reaction kinetics and thermodynamics. The techniques to be used include but are not limited to high-level electronic structure calculations, molecular dynamics simulations and hybrid quantum mechanics/molecular mechanics (QM/MM) methods. This project will involve close collaborations with several world-leading experimentalists teams.

To find out more about our research, please visit http://www.chemistry.unsw.edu.au/ho-group.

We welcome applications from motivated students with a strong background in physical and organic chemistry. Experience in computational chemistry and computer programming (e.g. Python) are desirable. Applicants are expected to have completed a Bachelor Honours degree (first class or equivalent) or a Master’s degree in the physical sciences. Excellent written and oral communication skills are essential.

Details of how to apply, including English Language requirements, are available at https://research.unsw.edu.au/submit-application

Informal enquiries can be sent in the first instance to Dr. Junming Ho

References

[1] Tran, U. P. N., Oss, G., Pace, D. P., Ho, J., Nguyen, T. V., Tropylium-Promoted Carbonyl-Olefin Metathesis Reactions. Chemical Science 2018, 9, 5145-5151.

[2] Ho, J., Zwicker, V. E., Yuen, K. K. Y., Jolliffe, J. A., Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides and Croconamides. The Journal of Organic Chemistry, 2017, 82, 10732-10736.

[3] Crocker, R. D., Hussein, M. A., Ho, J., Nguyen, T. V., NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights. Chemistry - A European Journal, 2017, 23, 6259-6263.

[4] Chen, J., Shao, Y., Ho, J., Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction. The Journal of Physical Chemistry A, 2019, 123, 5580-5589.

[5] Ho, J., Ertem, M. Z., Calculating Free Energy Changes in Continuum Solvation Models. The Journal of Physical Chemistry B, 2016, 120, 1319-1329.

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