Computational design of tailored open-shell conjugated systems

To be successful, organic electronics devices must be able to replicate and surpass the capabilities of conventional silicon-based electronics. π-conjugated systems offer high conductance and tunability, but their rational design is challenging. This project will establish design rules for tuning the electronic structure, optical and magnetic properties of systems ranging from polycyclic conjugated hydrocarbons (e.g. Nat. Chem. 2024, 16, 755) to porphyrin-based polymers (e.g. JACS, 2024, 146, 3992). We will particularly focus on the interplay between electronic and magnetic degrees of freedom in open-shell systems.

This is a fully computational project involving a combination of state-of-the-art electronic structure calculations, model building (e.g. JACS 2023, 145, 26962), tool development (Chem. Commun. 2024, 60, 960), as well as frequent collaboration with experimentalists (Science 2024, 384, 677; Nature 2023, 623, 977).

Eligibility

Applicants should have, or expect to achieve, a 2.1 or higher MSci, MChem or MPhys degree. We are looking for candidates interested in electronic structure theory, computational modelling, and programming. Enthusiasm for research, creativity, independence, good English language skills (IELTS band 6 or higher) and a commitment to work in highly diverse and multicultural research groups are essential.

Funding

At Manchester we offer a range of scholarships, studentships and awards at university, faculty and department level, to support both UK and overseas postgraduate researchers applying for competition and self-funded projects.

For more information, visit our funding page or search our funding database for specific scholarships, studentships and awards you may be eligible for.

Before you apply

The project is based in the newly established Roncevic group and potential applicants are encouraged to contact Dr Roncevic by email to discuss specifics (igor.roncevic@manchester.ac.uk).

How to apply

Apply online through our website: https://uom.link/pgr-apply-fap

When applying, you’ll need to specify the full name of this project, the name of your supervisor, if you already having funding or if you wish to be considered for available funding through the university, details of your previous study, and names and contact details of two referees.

Your application will not be processed without all of the required documents submitted at the time of application, and we cannot accept responsibility for late or missed deadlines. Incomplete applications will not be considered.

After you have applied you will be asked to upload the following supporting documents:

• Final Transcript and certificates of all awarded university level qualifications
• Interim Transcript of any university level qualifications in progress
• CV
• Supporting statement: A one or two page statement outlining your motivation to pursue postgraduate research and why you want to undertake postgraduate research at Manchester, any relevant research or work experience, the key findings of your previous research experience, and techniques and skills you’ve developed. (This is mandatory for all applicants and the application will be put on hold without it).
• Contact details for two referees (please make sure that the contact email you provide is an official university/work email address as we may need to verify the reference)
• English Language certificate (if applicable)

If you have any questions about making an application, please contact our admissions team by emailing FSE.doctoralacademy.admissions@manchester.ac.uk.

Equality, diversity and inclusion is fundamental to the success of The University of Manchester, and is at the heart of all of our activities. We know that diversity strengthens our research community, leading to enhanced research creativity, productivity and quality, and societal and economic impact.

We actively encourage applicants from diverse career paths and backgrounds and from all sections of the community, regardless of age, disability, ethnicity, gender, gender expression, sexual orientation and transgender status.

We also support applications from those returning from a career break or other roles.