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We have 129 computational materials science PhD Projects, Programmes & Scholarships

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computational materials science PhD Projects, Programmes & Scholarships

We have 129 computational materials science PhD Projects, Programmes & Scholarships

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Artificial Intelligence for Photovoltaics (fully funded)

Australian National University
School of Engineering
Open position available for PhD student!. If you are passionate about the application of AI in engineering science, we invite you to join us to shape the future of photovoltaics (PV) technologies together at the Australian National University (QS ranking 2026. Read more
 Supervisor: Dr H Zhan
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Shape the Future of Computational Science – 10+ Fully Funded PhD Opportunities available at HetSys at Warwick

University of Warwick
School of Engineering
Bringing together cutting-edge research in computational modelling of complex, heterogeneous systems, spanning scales from quantum and atomistic to continuum models with projects addressing exciting challenges in materials, molecules, and beyond—pushing the boundaries of science, maths and engineering. Read more
 Funded PhD Programme (UK Students Only)  EPSRC Centre for Doctoral Training
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Discovery of new inorganic materials for net zero applications

University of Liverpool
Department of Chemistry
The experimental discovery of new inorganic materials shows us how crystal structure and chemical composition control physical and chemical properties. Read more
 Supervisors: Prof M Rosseinsky, Dr L Daniels
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Generative AI Models for Materials Discovery

University of Liverpool
Department of Chemistry
The discovery of novel inorganic solid-state materials is essential to advance energy storage, catalysis, semiconductors, and quantum technologies. Read more
 Supervisors: Prof M J Rosseinsky, Prof R Savani
 31 August 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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Unveiling Structure–Property Relationships in Layered Materials via Synchrotron Techniques and Computational Modelling

University of Birmingham
School of Chemistry
We invite applications for a fully funded PhD studentship jointly hosted by the University of Birmingham and Diamond Light Source, the UK’s national synchrotron facility. Read more
 Supervisor: Dr P Allan
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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AI-Driven Structure Prediction for Materials Discovery

University of Liverpool
Department of Chemistry
The discovery of novel inorganic solid-state materials is essential to advance energy storage, catalysis, semiconductors, and quantum technologies. Read more
 Supervisors: Prof M J Rosseinsky, Prof R Savani
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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PhD/MS Positions in Nanotechnology, Materials Science, and Mechanical Engineering at Canterbury Christ Church University, Kent, UK

Canterbury Christ Church University
Are you interested in advancing your career in the fields of nanotechnology, materials science, and mechanical engineering? Canterbury Christ Church University, located in Kent, England, is inviting applications for MS and PhD positions in these cutting-edge areas of research. Read more
 Self-Funded PhD Students Only  PhD Research Programme
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Materials Discovery and Physical Crystallography

University of Liverpool
Department of Chemistry
This project focuses on discovery of new functional materials for clean energy applications, through experimental synthesis and structure determination using advanced X‑ray and electron diffraction techniques. Read more
 Supervisors: Prof M J Rosseinsky, Dr J Claridge, Dr LD Daniels
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Advanced Modelling of Waste Immobilisation Materials for Long‑Term Nuclear Waste Storage (Ref: CM/KJ-SF1/2026)

Loughborough University
Department of Chemistry
Reprocessing spent nuclear fuel generates waste that contains long‑lived radioactive isotopes capable of remaining hazardous for thousands of years. Read more
 Supervisor: Dr K Jolley
 1 April 2027  PhD Research Project  Self-Funded PhD Students Only
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Printing the un-printable: Machine Learning-driven 'Active' Slot-die Coating for the Precision Manufacture of Complex Functional Materials

University of Sheffield
EPSRC CDT in Developing National Capability for Materials 4.0, with the Henry Royce Institute
This project is part of cohort 3 of the EPSRC CDT in Developing National Capability for Materials 4.0, with the Henry Royce Institute. Read more
 Supervisors: Prof JR Howse, Dr M J Jones, Prof G Panoutsos, Dr M Keimer
 30 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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EPSRC Centre for Doctoral Training in Aerosol Science

University of Bristol
EPSRC Centre for Doctoral Training in Aerosol Science
Fully-funded 4-year PhD studentships are available as part of the EPSRC Centre for Doctoral training in Aerosol Science. Read more
 Funded PhD Programme (European/UK Students Only)  EPSRC Centre for Doctoral Training
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Crystal growth and neutron scattering of functional materials

University College London
London Centre for Nanotechnology
PhD Opportunity. Crystal growth and neutron scattering of functional materials. (UCL Crystal Growth Laboratory @ Rutherford Appleton Laboratory, Harwell Campus). Read more
 Supervisor: Prof R Perry
 Year round applications  PhD Research Project  Awaiting Funding Decision/Possible External Funding
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Doctor of Philosophy (PhD) in Machine Learning for In Situ Characterisation of Phase Transformation in Green Metals

Monash University
Department of Materials Science and Engineering
Doctor of Philosophy (PhD) in Machine Learning for In Situ Characterisation of Phase Transformation in Green Metals. Host. Department of Materials Science and Engineering, Monash University. Read more
 Supervisors: Dr YX Wu, Prof MP Preuss
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Indoor plant effects on aerosol behaviour and exposure in residential environments

University of Bristol
School of Chemistry
Applications are invited for a 4 year PhD studentship starting in Autumn 2026 as part of the EPSRC CDT in Aerosol Science. Project description. Read more
 Supervisors: Prof P Kumar, Prof CP Pfrang, Dr T Blanusa, Mr B. M. McCallan
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Discovery of inorganic cathode materials and/or solid electrolytes for next generation battery technology

University of Liverpool
Department of Chemistry
This project focuses on the discovery of next generation battery materials through experimental design and compositional exploration. Read more
 Supervisors: Prof M Rosseinsky, Dr R Chen, Dr L Daniels, Prof L Hardwick
 31 August 2026  PhD Research Project  Funded PhD Project (Students Worldwide)
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