University of Bath
5 days ago
PhD in Molecular Memory Writing in Molecularly Imprinted Polymers via Atomistic and Reactive Molecular Simulation University of Bath in United Kingdom
Degree Level
PhD
Field of study
Chemistry
Funding
Studentship funding is available through the Faculty of Engineering and Design at the University of Bath for Home and Overseas students, though Overseas awards are capped under UKRI policy. Funding covers tuition fees, includes a £1,000 per annum training support fee, and provides a maintenance stipend of £21,805 (2026/27 rate). International students must cover the Student visa and Immigration Health Surcharge from personal funds.
Country
United Kingdom
University
University of Bath

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About this position
University of Bath, Department of Chemical Engineering, is advertising a PhD studentship on how molecular memory is written in molecularly imprinted polymers (MIPs) through atomistic simulation and reactive molecular dynamics.
The project asks a fundamental question in polymer chemistry and computational materials design: how do template molecules, functional monomers, and cross-linkers organise before polymerisation, and how does the polymer network form around the template to create high-fidelity recognition sites? The work combines chemical engineering, polymer science, computational chemistry, molecular dynamics, ReaxFF, and high-performance computing.
The successful student will first study pre-polymerisation mixtures using classical MD to quantify hydrogen bonding, residence times, and local organisation. The project then moves to reactive MD to follow bond formation, chain propagation, and cross-linking during polymerisation, comparing imprinted and non-imprinted systems to identify pathways that favour molecular recognition.
Training will be provided in molecular modelling, reactive simulation, statistical trajectory analysis, and scientific computing, with opportunities to connect computational predictions to experimental MIP research at Bath.
Eligibility: applicants should have, or be about to obtain, a UK 1st/2.1 Honours degree or international equivalent in Chemical Engineering, Chemistry, Materials Science, Physics, or a closely related subject. A master’s degree is advantageous. Interest in molecular modelling, polymers, and computational research is essential; prior experience with MD, programming, Linux, or HPC is helpful but not required.
Funding: studentship funding covers tuition fees and includes a £1,000 annual training support fee plus a maintenance stipend of £21,805 (2026/27 rate). Overseas students may apply, but numbers are capped; international students must self-fund visa and Immigration Health Surcharge costs.
How to apply: submit a formal application via the University of Bath online PhD application form for Chemical Engineering. Enter the project title and lead supervisor name exactly as instructed, and select University of Bath URSA in the funding section. Applicants may apply for up to two projects on this programme.
Funding details
Studentship funding is available through the Faculty of Engineering and Design at the University of Bath for Home and Overseas students, though Overseas awards are capped under UKRI policy. Funding covers tuition fees, includes a £1,000 per annum training support fee, and provides a maintenance stipend of £21,805 (2026/27 rate). International students must cover the Student visa and Immigration Health Surcharge from personal funds.
What's required
Applicants must have, or be about to obtain, a UK Honours degree at 1st or 2.1 level, or an international equivalent. A master’s-level qualification would be advantageous. A strong degree in Chemical Engineering, Chemistry, Materials Science, Physics, or a closely related discipline is expected. Interest in molecular modelling, polymers, and computational research is essential. Experience with molecular dynamics, computational chemistry, programming, Linux, or high-performance computing is advantageous but not required. Non-UK applicants not currently studying in the UK must meet the programme’s English language requirement before the application deadline.
How to apply
Apply through the University of Bath’s online PhD application form for Chemical Engineering. Quote the project title and the lead supervisor’s name in the relevant fields, and select ‘University of Bath URSA’ under Funding Your Studies. You may apply for up to two PhD projects on this programme.
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