Dr Joseph C. A. Prentice

Joe is a Lecturer of Materials Science in the Department of Materials at the University of Manchester. His research is in the realm of materials modelling – using theoretical tools to model and predict the properties of materials. In particular, Joe is interested in optical, thermal, and vibrational properties of systems, with a focus on large-scale or complex solids. Much of his work focuses on developing new methods to model such properties, as well as applying them.
In his research, Joe typically makes use of first principles materials modelling methods, i.e., those that aim to predict behaviour from the equations of quantum mechanics. His work usually involves the workhorse of materials modelling, density functional theory (DFT), but often other methods as well. He is an active developer of the widely used DFT codes ONETEP and CASTEP; he is also closely involved with Psi-k, a Europe-based network of researchers in first principles computational materials science.
Joe obtained a 1st class MPhys degree in Physics from the University of Oxford (University College) in 2014, conducting his final year MPhys project under the supervision of Dr Amalia Coldea. He then moved to the Cavendish Laboratory at the University of Cambridge, obtaining a PhD in computational condensed matter physics in 2017, under the supervision of Professor Richard Needs; his thesis, entitled ‘Investigating anharmonic effects in condensed matter systems’, was awarded the 2018 IoP Theory of Condensed Matter Group “Sam Edwards” Thesis Prize.
From 2017-2019, Joe was a postdoctoral research associate at Imperial College London working with Professors Arash Mostofi and Peter Haynes, and dually affiliated to the Departments of Materials and Physics.
From 2020-2024, Joe held the position of Cooksey Early Career Teaching and Research Fellow in Materials Science at St Edmund Hall, University of Oxford, and affiliated to the Department of Materials. Prior to joining Manchester, Joe was a Fellow by Special Election at St Edmund Hall, and a postdoctoral research associate in the group of Professor Rebecca Nicholls.
In his spare time, Joe enjoys walks in the countryside, a good science fiction/fantasy book, and board games.
Current Members
PhD Students

Harry Brough
2025-present
Co-supervised with Prof Sam Hay (Manchester Institute of Biotechnology)
Harry completed a Natural Sciences degree at Lancaster University, with a final-year project developing improved methods for computing solid-state NMR chemical shifts. In his PhD project he is applying linear scaling quantum chemical methods to model enzymatic reactions more accurately and efficiently, focussing on proteins where quantum mechanical tunnelling is thought to be central to the reaction mechanism.

Henry Davis
2025-present
Co-supervised with Prof Joao Fonseca (Department of Materials)
I have spent 4 years at the University of Nottingham, where I did an integrated masters. My masters project was on discovering optical properties of defect centres in diamond for potential use in quantum communication.
For my PhD, I will be starting with modelling type II Sn in diamond to identify the structure of this. Then I will be working closely with experimental groups to guide me in a direction of materials and potential defects which are showing interesting properties.
Ishraq Mamun
2025-present
Co-supervised with Dr Alex Eggeman (Department of Materials)
Combining electron microscopy and materials modelling for high entropy materials
Past Members
Masters Students
Lucas Belz-Koeling
2024-2025
Part II Project Student (University of Oxford)
Co-supervised by Prof Jonathan Yates and Prof Jason Smith
Modelling effect of defects on excited state properties of Sn-V defects in diamond
James Bennett
2024-2025
Part II Project Student (University of Oxford)
Co-supervised by Prof Jason Smith
Modelling phonon sidebands of Sn-V defects in diamond
Jacx Chan
2023-2024
Part II Project Student (University of Oxford)
Co-supervised by Prof Jonathan Yates and Prof Jason Smith
Modelling effect of defects on excited state properties of Sn-V defects in diamond
Rajun Phagura
2021-22
Part II Project Student (University of Oxford)
Co-supervised by Prof Jonathan Yates
Modelling influence of molecules on dyes for photovoltaic applications
Agastya Pisharody
2020-21
Part II Project Student (University of Oxford)
Co-supervised by Prof Jonathan Yates
Predicting novel molecules possessing colour polymorphism
Others
Anahita Manchala
2023
Summer Intern (University of Oxford)
Modelling solvent effects on organic photovoltaic molcules
Emily Danks
2021-22
BA Project Student (University of Oxford)
Co-supervised by Prof Jonathan Yates
Predicting novel molecules possessing colour polymorphism

