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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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Mixing of cohesive and wet materials

The University of Manchester
Department of Mathematics
This PhD project focuses on the simulation and modelling of wet and cohesive powders, which play a crucial role in industries such as pharmaceuticals, food processing, and additive manufacturing. Read more
 Supervisor: Dr A Thornton
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Picophotonics: the science of light-matter interactions at sub-nanometre scale

University of Southampton
Faculty of Engineering and Physical Sciences
Supervisory Team. Prof Kevin MacDonald and Prof Nikolay Zheludev. Optical imaging and metrology techniques now routinely break the classical diffraction limit on resolution. Read more
 Supervisor: Prof K MacDonald
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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One-dimensional Graphene Nanoribbons and Two-dimensional Covalent Organic Frameworks for Quantum Technologies

The University of Manchester
Department of Chemistry
Quantum technologies are poised to transform computing, communication, and sensing. At the heart of these advances lie novel quantum materials with precisely tailored properties. Read more
 Supervisor: Dr A Keerthi
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Towards compact Gamma-ray Free Electron Lasers

University of Strathclyde
Cockcroft Institute
Project Background. Over the past few decades, X-ray free-electron lasers (XFELs) have become the pre-eminent tool for studying the structure and dynamics of materials at the molecular scale. Read more
 Supervisor: Dr G Robb
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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How do we control the shape and time structure of our very short bunches using THz-driven structures?

The University of Manchester
Cockcroft Institute
Particle accelerators are powerful tools that have driven major discoveries in physics, from finding the Higgs boson to developing new materials. Read more
 Supervisor: Dr R Appleby
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Molecular Quantum Dynamics of Isomerising molecules

University of Aberdeen
School of Natural and Computing Sciences
These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more
 Supervisors: Dr M Law, Dr P A Henderson
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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High-Throughput Development of High-Performance Copper Alloys via Additive Manufacturing

Heriot-Watt University
School of Engineering & Physical Sciences
PhD Opportunity. High-Throughput Development of High-Performance Copper Alloys via Additive Manufacturing. Institution. Heriot-Watt University, Edinburgh, UK. Read more
 Supervisor: Dr FS Shalchy
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Organic Synthesis and Catalysis

The University of Manchester
Department of Chemistry
Nucleophilic aromatic substitution is one of the most fundamentally important class of reactions in organic chemistry. Indeed, these reactions are used every day to synthesise new pharmaceuticals, agrochemicals, materials and more. Read more
 Supervisor: Dr M James
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Last chance to apply

Mixed precision methods for numerical linear algebra at exascale

University of Leeds
Faculty of Engineering and Physical Sciences
  Research Group: School of Computer Science
Join an international team developing scalable algorithms to solve numerical linear algebra challenges on supercomputers. Modern high-performance computing increasingly relies on hardware accelerators originally designed for artificial intelligence. Read more
 Supervisor: Dr M Fasi
 10 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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Discrete models of cellular materials

The University of Manchester
Department of Mathematics
The mechanical properties of plant and animal tissues are strongly influenced by the arrangement of their constituent cells. Discrete models, in which cells are represented as polygons or polyhedra, provide a popular and powerful modelling framework for understanding tissue biomechanics. Read more
 Supervisor: Prof O Jensen
 Year round applications  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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EPSRC DLA with AstraZeneca: Smart Sorbents for Cost-Effective, Sustainable Oligonucleotide & Oligopeptide Purification

University of Leeds
Faculty of Engineering and Physical Sciences
  Research Group: School of Chemistry
Metal-organic frameworks (MOFs) are a versatile class of porous materials composed of metal clusters/ions and organic linkers, offering exceptional surface areas, tuneable pore structures and functionalities. Read more
 Supervisors: Dr A Laybourn, Dr O Munro, Prof F. Sobott
 30 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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(SATURN CDT) Advanced Fuels and Multiphysics Modelling for Small Modular Reactor (SMR) Systems (Rolls-Royce SMR Sponsored PhD with Barcelona Secondment)

The University of Manchester
Department of Mechanical and Aerospace Engineering
UoM_Nuclear. Saturn_Nuclear_CDT. Project Summary. This Rolls-Royce SMR–sponsored PhD will develop advanced multiphysics modelling methods to support next-generation soluble boron-free (SBF) reactor designs and enable rigorous assessment of advanced fuel concepts. Read more
 Supervisors: Dr AP Peakman, Prof T Abram
 15 June 2026  PhD Research Project  Funded PhD Project (UK Students Only)
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Beyond normal - Proteins in Alien Environments (Ref: CG-AC-2525)

Loughborough University
Department of Chemical Engineering
What would happen if the liquid enabling life were not water, but a class of molecules with a similar melting range known as 'ionic liquids'? Ionic liquids are, simply, liquids made of ions usually defined as having melting temperatures below 100C, for which there are millions of possible options. Read more
 Supervisor: Prof A Croft
 3 August 2026  PhD Research Project  Self-Funded PhD Students Only
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Revealing Solvents Under Confinement

The University of Manchester
Department of Chemical Engineering
Many technologies essential to a Net Zero future, including sustainable chemical processing, separations, and energy storage, rely on liquids operating inside nanoporous materials. Read more
 Supervisors: Dr M Falkowska, Dr T Youngs, Prof C Hardacre
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Numerical Simulation of Concrete Fracture under Extreme Conditions using Phase-Field Methods

University of Sheffield
School of Mechanical, Aerospace and Civil Engineering
Concrete structures in energy, industrial, and civil infrastructure are frequently exposed to demanding conditions, such as multiaxial mechanical stresses, fire-induced thermal loading, and/or harsh environmental exposure. Read more
 Supervisor: Dr G Torelli
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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