Digital Exploration and Structural Modelling of Hybrid Glass Formers

Description

Glasses formed from hybrid materials, or hybrid glasses, have revolutionised materials science in recent years, with their distinctive structural and functional properties. This project aims to expand our understanding of these non-crystalline materials via two key objectives: the discovery of new hybrid glass formers and by modelling the atomic structures of known materials. Advanced computational methods, such as high-throughput simulations and machine learning, will be utilised to identify promising glass-forming candidates. Detailed atomic structural models of known hybrid glasses will also be developed, providing insights into their structure, bonding, and stability. These models will complement experimental data, explaining observed behaviours and guiding future research directions. Collaboration with experimentalists will ensure the integration of both computational and experimental efforts, thus reducing reliance on trial-and-error synthesis and streamlining materials discovery. While the focus of this project is primarily computational, there is scope to incorporate experimental elements for those interested in a broader approach.

The ideal candidate for this studentship has a background in chemistry, materials science, or engineering and an interest in computational modelling, data science, or AI. The student will be primarily supervised by Dr Lauren McHugh, whose extensive knowledge of hybrid glasses will be essential in leading the project and validating computational predictions. Dr Dyer will provide the necessary technical training in computational materials chemistry.

By advancing knowledge of hybrid glasses, this project aims to enable the design and understanding of innovative advanced materials and will have a significant contribution to materials science research.

The global need for researchers with capabilities in materials chemistry, digital intelligence and automation is intensifying because of the growing challenge posed by Net Zero and the need for high-performance materials across multiple sectors. The disruptive nature of recent advances in artificial intelligence (AI), robotics, and emerging quantum computing offers timely and exciting opportunities for PhD graduates with these skills to make a transformative impact on both R&D and society more broadly.

The University of Liverpool EPSRC Centre for Doctoral Training in Digital and Automated Materials Chemistry is therefore offering multiple studentships for students from backgrounds spanning the physical and computer sciences to start in October 2025. These students will develop core expertise in robotic, digital, chemical and physical thinking, which they will apply in their domain-specific research in materials design, discovery and processing. By working with each other and benefiting from a tailored training programme they will become both leaders and fully participating team players, aware of the best practices in inclusive and diverse R&D environments.

This training is based on our decade-long development of shared language and student supervision between the physical, engineering and computer sciences, and takes place in the Materials Innovation Factory (MIF), the largest industry-academia colocation in UK physical science. The training content has been co-developed with 35 industrial partners and is designed to generate flexible, employable, enterprising researchers who can communicate across domains.

Applicant Eligibility

Candidates will have, or be due to obtain, a Master’s Degree or equivalent related to Physical Science, Engineering or Computational Science. Exceptional candidates with a First Class Bachelor’s Degree in an appropriate field will also be considered.

Application Process

Applicants are advised to apply as soon as possible no later than 17^th February 2025. The CDT will hold two rounds of applications assessment:

·      Assessment Round 1: for all applications received between 11^th December 2024 – 15^th January 2025.

·      Assessment Round 2: for all applications received between 16^th January 2025 – 17^th February 2025

Applicants who wish to be considered in Assessment Round 1 must apply by 15^th January 2025. Projects will be closed when suitable candidate has been identified (this could be before the 17th February 2025 deadline).

Please review our guide on How to apply for a PhD | Postgraduate research | University of Liverpool carefully and complete the online postgraduate research application form to apply for this PhD project in Chemistry.

We strongly encourage candidates to get in touch with the supervisory team to get a better idea of the project.

We want all our Staff and Students to feel that Liverpool is an inclusive and welcoming environment that actively celebrates and encourages diversity. We are committed to working with students to make all reasonable project adaptations including supporting those with caring responsibilities, disabilities or other personal circumstances. For example, if you have a disability you may be entitled to a Disabled Students Allowance on top of your studentship to help cover the costs of any additional support that a person studying for a doctorate might need as a result.

Please ensure you include the project title and reference number CCPR140 for example when applying.