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虫号: 29180687
注册: 2022-03-16
专业: 理论和计算化学

[交流] PhD Opportunity at University of New South Wales (UNSW)

Two PhD scholarships are available in the Mechanism and Modelling Group (https://sites.google.com/view/mmg-unsw/home) led by A/Prof Junming Ho in the School of Chemistry, University of New South Wales.
Project 1 is concerned with the development of computational methods (e.g. QM/MM molecular dynamics) to reliably predict small molecule properties and the thermochemistry of condensed phase reactions. These studies could involve machine learning to accelerate dynamics simulations.
Project 2 will use computational simulations to design materials (e.g. polymers) that can replace perfluoroalkyl substances (PFAS) used in protective garments and food packaging materials. This project will involve developing atomistic models to describe the interactions between high and low-surface tension liquids with different surfaces and the application of statistical free energy methods to evaluate permeability.
Research scholarships are valued at $38,438 pa (tax-free) for 3.5 years.
The ideal candidate should demonstrate the following qualifications, experience and interests:
1) A Bachelor of Science with Honours in Chemistry (First class or equivalent).
2) A strong background and/or strong motivation for research in computational chemistry, reaction mechanisms and physical organic chemistry.
3) Experience and/or strong interest in computational analysis, quantum chemistry, classical simulations and collaborating with experimental groups.
4) Excellent problem-solving and strong writing/communication skills and ability to work independently.
Interest applicants should email A/Prof Junming Ho ( junming.ho@unsw.edu.au) with their CV and a 1-page statement addressing the selection criteria.

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