Advanced methods and machine learning for the creation and characterisation of novel pharmaceutical materials

About the Project

Project Overview:

Understanding the physicochemical properties of new and existing small molecule pharmaceuticals is one of the most important elements of creating an effective medicine. We have world class expertise in this area; in particular, in developing methods the determination of crystal structures, from which physicochemical properties can be both predicted and understood.

This project is focussed on understanding the solid-state structures of novel pharmaceuticals and delivery systems such as co-crystals and amorphous forms, and will utilise cutting-edge techniques, including:

• Machine learning for structure solving and pattern identification
• Mechanochemistry (for materials generation e.g. co-crystals)
• X-ray diffraction from single crystals and powders
• Pair distribution functions
• The very latest electron diffraction systems for studying nanocrystals
• Access to central facilities, such as the Diamond synchrotron
• High-performance computing for structure solving and validation

Research in this area is of considerable interest and there is scope and flexibility within the programme of work for you to introduce your own new ideas and concepts. Initial literature-based work will be used to identify “hot compounds” and to help shape the approaches to be developed for dealing with each one.

There will also be opportunities to learn programming in Python, and you will have access to high-performance workstations and compute clusters. Our X-ray diffraction facilities are world-class and allow for the study of materials under varying conditions of temperature and humidity. All the usual characterisation techniques (DSC, TGA, microscopy) are also available. The project will generate high-impact publications and you will receive extensive training in all of the above techniques, giving you the expertise that will put you in a very strong position to progress to a career either in academia or industry (both ‘big pharma’ and ‘contract research’).

University of Reading:

The University of Reading, located west of London, England, is ranked at 172 globally, according to the QS World University Rankings 2025. 98% of research at the University is of international standing (REF 2021, combining the University’s world leading, internationally excellent and internationally recognised submissions). The University’s main Whiteknights Campus is set in 130 hectares of beautiful, award-winning parkland, less than a 30-minute train ride to London Paddington and is approximately 30 miles from London Heathrow airport.

During your PhD at the University of Reading, you will expand your research knowledge and skills, receiving supervision and training in a number of different forms. We also provide dedicated training in important transferable skills that will support your career aspirations. If you need to develop your academic English skills before you start your studies, then the University has an excellent International Study and Language Institute which can help with this.

Eligibility:

• Applicants should have a good bachelor’s degree (minimum of a UK Upper Second (2:1) or equivalent)/master’s degree in chemistry, pharmacy/pharmaceutical sciences, physics or a strongly-related discipline.
• International applicants will also need to meet the University’s English Language requirements. We offer pre-sessional English courses that can help with meeting these requirements.

*The University of Reading is committed to a policy of equal opportunities and non-discriminatory treatment for all members of its community.*

How to apply:

Submit an application for a PhD in Pharmacy via our online application system.

Further information:

https://www.reading.ac.uk/pharmacy/research

https://www.reading.ac.uk/pharmacy/staff/professor-kenneth-shankland

Enquiries:

Prof Kenneth Shankland, email: k.shankland@reading.ac.uk

Funding Notes

We welcome applications from self-funded students worldwide for this project.

If you are applying to an international funding scheme, we encourage you to get in contact as we may be able to support you in your application.