PhD Positions in Multi-Scale Simulations + AI in Drug Discovery and Artificial Enzymes
University of New South Wales (Sydney, Australia)
Overview
Two PhD scholarships are available in the Mechanism and Modelling Group in the School of Chemistry. Students will work on computational methods for drug discovery and artificial enzymes.
Projects
* PROJECT 1: Develop efficient computational methods (e.g. QM/MM molecular dynamics) to predict molecular properties such as membrane permeability and enzyme‐ligand binding. The work may incorporate machine learning.
* PROJECT 2: Use computational simulations to design electrochemical nanozymes that promote chemoselective reactions. The candidate will collaborate with experimental groups at UNSW.
Research Scholarships
Valued at AUD 38,438 per annum (tax‐free) for 3.5 years, plus support for conferences and summer schools.
Eligibility
* Bachelor of Science with Honours in Chemistry or Physics (first class or equivalent).
* Strong background or motivation for research in computational chemistry, reaction mechanisms, and physical organic chemistry.
* Experience or strong interest in computational analysis, quantum chemistry (periodic DFT for Project 2), classical simulations and coding.
* Excellent problem‐solving, writing/communication skills and ability to work independently.
Application Instructions
Send a CV, academic transcripts, and a one‐page statement addressing the selection criteria to A/Prof Junming. (Replace "_+_" with "@" to form the correct email address.) All documents should be emailed to that address. For more information about the group, see https://sites.google.com/view/mmg-unsw/home
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