Program Overview

Program Overview

The Computational Modelling of Functional Molecular Materials program is a PhD research degree offered by Loughborough University. This program focuses on the study of molecular materials and their interactions with light, providing the basis for new light sources, solar cells, and sensors.

Qualification(s) Available

• PhD

Entry Requirements

Applicants should have, or expect to achieve, at least a 2:1 Honours degree (or equivalent) in chemistry, physics, or a related subject. A relevant Master's degree and/or experience in computational chemistry will be an advantage.

Fees for Entry

• UK fee: £5,006 Full-time degree per annum
• International fee: £28,600 Full-time degree per annum

Duration and Start Date

• Full-time: 3 years
• Start date: October 2025, January 2026

Application Deadline

• 30 October 2025

Project Reference

• CM/FP-SF1/2025

Location

• Loughborough

Subject Area(s)

• Chemistry

Project Details

Molecular materials have the promise of revolutionising electronics by providing low-cost and sustainable alternatives to silicon-based devices. Within this project, you will study molecular materials and, specifically, how molecules interact with light, providing the basis for new light sources, solar cells, and sensors. Computations will be performed on the newest generation of materials being synthesised by collaborators at the University of Cambridge, Imperial College London, and Loughborough University.

The specific project can be tailored to your interest out of Dr Plasser's research portfolio. Your work may encompass luminescence of doublet emitters, singlet fission for next-generation solar cells, battery anodes based on macrocyclic molecules, or luminescent anion sensors made from lanthanide complexes.

During this project, you will join Dr Plasser’s group at Loughborough to perform cutting-edge research in computational chemistry, joint with experimental collaborators. You will learn how to run a variety of quantum chemistry computations and how to interpret the results in terms of relevant materials properties. You will learn how to deal with large amounts of data, to automate the required tasks using scripting languages, and will have the chance to acquire more sophisticated computer programming skills. You will learn how to communicate the results with colleagues working in experiment and theory via posters, oral presentations, and scientific publications.

At the end of this project, you will be able to carry out analogous work independently in industry or academia. In addition, you will have a firm background in IT skills and data analysis.

Supervisors

• Primary supervisor: Felix Plasser

English Language Requirements

Applicants must meet the minimum English language requirements. Further details are available on the International website.

Fees and Funding

Tuition fees cover the cost of your teaching, assessment, and operating University facilities such as the library, IT equipment, and other support services. University fees and charges can be paid in advance, and there are several methods of payment, including online payments and payment by instalment. Fees are reviewed annually and are likely to increase to take into account inflationary pressures.

Selection Criteria

The following selection criteria will be used by academic schools to help them make a decision on your application. Please note that this criteria is used for both funded and self-funded projects.

Research Areas

The program involves research in computational chemistry, focusing on molecular materials and their interactions with light. This includes areas such as:

• Luminescence of doublet emitters
• Singlet fission for next-generation solar cells
• Battery anodes based on macrocyclic molecules
• Luminescent anion sensors made from lanthanide complexes

International Entry Requirements

The University has specific entry requirements for international students based on their country of origin. These requirements can be found on the University's website and include:

• GPA requirements
• Percentage requirements
• Degree classifications
• English language requirements