Funded PhD Positions in Computational Chemistry and Nanozyme Design at UNSW University of New South Wales in Australia

Monash University is advertising a double PhD degree opportunity with the University of Bayreuth for a project on accelerating organic semiconductor discovery with generative AI, molecular dynamics, and density functional theory (DFT) . The research sits at the intersection of materials science , computational chemistry , scientific machine learning , and physics , with a focus on designing next-generation organic semiconductor materials with tailored optoelectronic properties. The program is pa...

Postdoctoral Research Fellow – GETCO2 Centre of Excellence at Swinburne University of Technology , Hawthorn, Melbourne, Australia. This is a full-time postdoctoral opportunity in the Computation and Characterisation Theme of the GETCO2 Centre of Excellence, working across a network of partner universities and ANSTO. The project focuses on catalysis , electrochemistry , materials characterisation , and the development of advanced in situ and operando techniques to investigate catalytic processes....

University of Bath, Department of Chemical Engineering, is advertising a PhD studentship on how molecular memory is written in molecularly imprinted polymers (MIPs) through atomistic simulation and reactive molecular dynamics . The project asks a fundamental question in polymer chemistry and computational materials design: how do template molecules, functional monomers, and cross-linkers organise before polymerisation, and how does the polymer network form around the template to create high-fide...

PhD opportunity in AI-powered enzyme engineering and computational chemistry at the University of Bristol , offered through a BBSRC SWBio CASE PhD project in partnership with AstraZeneca . The project is titled Optimizing biocatalysts for industry through machine-learning based enzyme activity screening (no. 3680). It focuses on developing and applying advanced computational workflows that combine machine-learned potentials , molecular simulation , and enzyme engineering to predict enzyme activi...

Postdoctoral Fellow opportunity in Chemistry at the University of New South Wales in Sydney, Australia . The project focuses on electrocatalysis , ion exchange membranes , and the development of novel materials for electrolyzers and fuel cells . The role includes synthesising materials, prototyping and scaled-up demonstration, assessing efficiency and durability metrics, relating performance to life-cycle cost, and designing experiments under schedule constraints. This is a full-time , 12-month ...