PhD Studentship - Computational Discovery of MOFs for Energy Applications using ML-assisted Inverse Design Strategies

No of positions: 1

How to apply: uom.link/pgr-apply-2425

This 3.5 year project is funded by the University of Manchester through the Strategic Doctoral Landscape Award (sDLA) Scholarship. The successful candidate will receive an annual tax free stipend set at the UKRI rate (£20,780 for 2025/26) and tuition fees will be paid. Home students and those with settled status are eligible to apply. We expect the stipend to increase each year.

The overarching goal of this project is to discover new Metal-Organic Frameworks (MOFs) that excel in hydrogen energy-related applications. The UK government recognizes hydrogen as an efficient, low-carbon solution to achieving greater industrial sustainability and meeting net-zero targets. Implementing this vision necessitates a diverse array of technologies for the production, storage, and utilization of hydrogen as an energy source. Central to hydrogen-based technologies are the functional materials that facilitate them.

Recently, our research teams have identified a set of materials with exceptional proton conduction and photocatalytic water splitting performance, surpassing most known materials. These materials are part of the Metal-Organic Frameworks (MOFs) class, whose modular nature suggests limitless variability in their structure and chemistry. In a multidisciplinary research project involving the University of Manchester, Oak Ridge National Laboratory and IBM, we will employ molecular simulations and theoretical methods to understand how to design materials for hydrogen-energy applications. With these design principles, we aim to develop, synthesize, and test the next generation of MOFs for the hydrogen-energy economy.

Applicants should have, or expect to achieve, at least a 2.1 honours degree or a master’s (or international equivalent) in a relevant science or engineering related discipline.

To apply, please contact Prof. Lev Sarkisov - lev.sarkisov@manchester.ac.uk. Please include details of your current level of study, academic background and any relevant experience and include a paragraph about your motivation to study this PhD project.

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