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We have 127 computational materials science PhD Projects, Programmes & Scholarships

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computational materials science PhD Projects, Programmes & Scholarships

We have 127 computational materials science PhD Projects, Programmes & Scholarships

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4 yr PhD Studentships in Bioinspired and Sustainable Materials (Experimental & Computational)

University of Strathclyde
Department of Pure and Applied Chemistry
Multiple PhD scholarships are available for experimental and computational students with background in one or more of the following disciplines. Read more
 Supervisor: Dr K.H.A Lau
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Mitigation of radiation and hydrogen damage with laser peening through multiscale modelling PhD

Cranfield University
Faculty of Engineering and Applied Science
Cranfield University is seeking highly motivated and accomplished prospective PhD students to conduct cutting-edge research in the degradation of materials at extreme environments. Read more
 Supervisor: Dr G Castelluccio
 29 July 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Programming Colloidal Self-Assembly for Multifunctional Advanced Materials

University of Birmingham
School of Chemistry
About the Project. A funded PhD studentship is available for home students in the School of Chemistry at the University of Birmingham on a project themed on the design and self-assembly of multifunctional advanced materials, using a variety of computational methods and data-driven approaches. Read more
 Supervisor: Dr D Chakrabarti
 Year round applications  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Magnetic Metamaterials and Millimetre-Wave Devices – Industrial PhD in Physics (Fully-Funded Studentship) – UK Nationals/UK Dual-Nationals ONLY

University of Exeter
Department of Physics and Astronomy
Join us in the University of Exeter’s Centre for Metamaterials Research & Innovation – the heart of the UK Metamaterials community. Read more
 Supervisor: Dr F Y Ogrin
 21 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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Mitigating Synthesisability Loss in 3D Generative Models

University of Liverpool
Department of Chemistry
Can AI design molecules that are both truly novel and actually makeable? This PhD will combine 3D generative modelling, structural informatics, and chemical insight to tackle a central challenge in modern drug discovery, training researchers at the interface of AI, synthesis, and automation. Read more
 Supervisors: Dr A Bradley, Dr G Pizzuto, Dr JW Ward
 31 August 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Multi-scale Computational & AI-Enabled Modelling of Electrochemical Energy Technologies (Ref: AAE-ZN-2514)

Loughborough University
Department of Aeronautical and Automotive Engineering
The rapid development of advanced electrochemical technologies, including batteries, fuel cells, electrolysers, is driving demand for high-performance, cost-effective, and durable systems. Read more
 Supervisors: Dr Z Niu, Prof V Pinfield
 1 July 2026  PhD Research Project  Self-Funded PhD Students Only
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Data-Driven Numerical Modelling of Materials for High-Temperature Nuclear and Energy Applications

University of Sheffield
School of Mechanical, Aerospace and Civil Engineering
Next-generation nuclear and fusion energy systems place unprecedented demands on structural and functional materials, which must operate reliably under extreme thermal, mechanical, and environmental conditions. Read more
 Supervisor: Dr G Torelli
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Unravelling the effects of dynamics on catalysis in porous materials through advanced NMR spectroscopy

The University of Manchester
Department of Chemistry
  Research Group: Department of Chemistry, Analytical Methods and Physical Chemistry Theme
More efficient catalytic and separation processes that require less energy and enable the sustainable utilisation of small molecules and chemical feedstocks are essential for achieving net zero and reducing the environmental impact of modern industry. Read more
 Supervisors: Prof M Nilsson, Dr D Lee
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Novel multi-ion therapeutics in mineral formation for oral health

University of Leeds
Faculty of Medicine and Health
A full PhD scholarship is available for an interdisciplinary project in the field of biomaterials. This is a BBSRC-funded scholarship, in partnership with industry, and is open to UK applicants. Read more
 Supervisors: Prof M Al-Jawad, Dr H Chappell, Dr M Al-Mosawi
 30 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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Passive microfeature backplates for resilient perovskite silicon tandem PV modules

Kingston University
Faculty of Engineering, Computing and the Environment
Perovskite silicon tandem solar cells have shown remarkable efficiency improvements but continue to face challenges in thermal stability, mechanical integrity, and moisture protection. Read more
 Supervisor: Dr H Hadavinia
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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PhD studentship in Cocrystals as Probes for the Local Conditions in Resonant Acoustic Mixing

University of Birmingham
School of Chemistry
PhD studentship in Cocrystals as Probes for the Local Conditions in Resonant Acoustic Mixing. Applications are sought for a fully funded PhD studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with the Defence Science and Technology Laboratory (Dstl). Read more
 Supervisors: Dr A Michalchuk, Prof T F Friscic
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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PhD Studentship in Model Development to Predict the Effects of Particle Size and Morphology on Energetic Material Sensitivity

University of Birmingham
School of Chemistry
Applications are sought for a fully funded PhD studentship position in the School of Chemistry at the University of Birmingham (UoB) in collaboration with AWE Nuclear Security Technologies. Read more
 Supervisor: Dr A Michalchuk
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Development of Shape-stabilised PCMs from Agricultural Waste for Clean Energy Applications

Edinburgh Napier University
School of Computing, Engineering & the Built Environment
Agriculture contributes to the world's economic growth by accounting for 4 % of the global gross domestic product (The World Bank, 2023). Read more
 Supervisors: Dr CCP Costa Pereira, Dr D Sun
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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PhD position in the Cluster of Excellence “BlueMat Water-Driven Materials” – Research Area B

Deutsches Elektronen Synchrotron DESY
PhD Opportunities
For our location in Hamburg we are seeking. PhD position in the Cluster of Excellence “BlueMat Water-Driven Materials” – Research Area B. Read more
 Supervisor: Dr NP Prisle
 30 June 2026  PhD Research Project  Funded PhD Project (Students Worldwide)
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Developing magnonic building blocks for neuromorphic computing

The University of Manchester
Department of Computer Science
This PhD project will develop nanoscale devices which use magnons (collective excitations in magnetic order) as information carriers for ultra-efficient, compact, brain-inspired computing. Read more
 Supervisor: Dr W Griggs
 2 November 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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