Particle properties by design

Controlling particle properties is key to achieving desired material properties. The stability, downstream processability and bioavailability of a drug is dependent on the particle morphology, and surface characteristics, while electronic and photonic properties of crystals are anisotropic and are dependent on both particle size and the dominant crystal facets. Process control can help achieve property control to some extent, however, it is heavily dependent on the chemical environment and the crystallisability of the material. Hence, being able to predict such properties from big data can minimize experimental needs and can prove to be a more sustainable means to materials discovery. The aim of the project is to test whether machine learning models can predictively design particle properties of small molecule organics using a combination of metadata from CIF files and the associated literature together with high-throughput calculations of attachment energies associated literature together with high-throughput calculations of attachment energies.

Supervisors:

1. Anuradha Pallipurath ([email protected])

If you are interested in this PhD, we encourage you to contact the project supervisor(s) directly. 

Application Deadline:

Applications open until successful candidate is recruited (no later than Summer 2025) 

Funding Notes:

This is a fully funded project, part of cohort 2 of the EPSRC CDT in Materials 4.0. CDT. The studentship covers fees (home & international), a tax-free stipend of at least £19,237 plus London allowance if applicable, and a research training support grant.

Candidates of all nationalities are welcome to apply; up to 30% of studentships across the CDT can be awarded to outstanding international applicants. Early applications from interested overseas candidates are encouraged.

The Materials 4.0 CDT is committed to Equality, Diversity and Inclusion. Five countries are represented in cohort 1. We would like to see a more gender-balanced cohort 2, so we strongly encourage applications from female candidates.

Enquiries:

For application-related queries, please contact Jess Lewis ([email protected]). Please note that each partner of the CDT in Materials 4.0 will have its own application process.

Application Webpage:

https://prod.banner.leeds.ac.uk/ssb/bwskalog_uol.P_DispLoginNon

Select research degree – research postgraduate, then 2025/26 academic year and, under ‘planned course of study’, choose ‘EPSRC CDT Materials 4.0’.