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We have 145 computational chemistry PhD Projects, Programmes & Scholarships

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computational chemistry PhD Projects, Programmes & Scholarships

We have 145 computational chemistry PhD Projects, Programmes & Scholarships

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Science Research Opportunities at the University of East Anglia

University of East Anglia
Faculty of Medicine and Health Science
The Faculty of Science is part of Norwich Research Park, one of Europe's leading research centres conducting cutting-edge multidisciplinary research with an annual research spend of over £130 million. Read more
 Funded PhD Programme (Students Worldwide)  PhD Opportunities
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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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Ionic Innovations: Next-Generation Drug Delivery (Ref: CG-AC-2521)

Loughborough University
Department of Chemical Engineering
Ionic liquids (ILs) and Deep Eutectic solvents (DES) have recently been used as drug delivery vectors with formulations that can allow effective transdermal action, with high potency to enhance skin permeation and low tendency to induce skin irritation (doi. Read more
 Supervisor: Prof A Croft
 3 August 2026  PhD Research Project  Self-Funded PhD Students Only
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Polysialyltransferases as a target in metastatic cancer

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases. Read more
 Supervisors: Prof R Falconer, Dr S Shnyder
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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MSc by Research: Functional mechanisms and inhibition of biomedically important calcium channels

University of Dundee
Faculty of Life Sciences
Ion channels are key components in every cell, bridging cell and organellar membranes for the traversal of charged species. Calcium channels are of particular physiological importance because of the central role calcium plays in cell signalling and cell death. Read more
 Supervisors: Prof U Zachariae, Dr R Sknepnek
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Computational Design and Study of Peptide-Like Foldamers for Supramolecular and Medicinal Chemistry

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 L Trembleau, Prof H Deng
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Astrocyte Metabolism as Inspiration for Ultra‑Efficient Neuromorphic Computing (Ref: CM/EH-SF1/2026)

Loughborough University
Department of Chemistry
Astrocytes (the brain’s most abundant glial cells) play a crucial role in energy management, information processing, and neural support. Read more
 Supervisors: Dr E Hill, Prof P Roach
 1 July 2027  PhD Research Project  Self-Funded PhD Students Only
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Computational Modelling of Nuclear Materials (Ref: CM/PG-SF1/2026)

Loughborough University
Department of Mathematical Sciences
An exciting self-funded PhD opportunity to join the Advanced Materials Modelling (AMM) Group at Loughborough. Pressurisation, corrosion and other factors may pose a threat to the safety and integrity of nuclear material packages in long term storage. Read more
 Supervisors: Dr P Goddard, Prof R Smith, Dr K Jolley
 1 April 2027  PhD Research Project  Self-Funded PhD Students Only
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Machine learning-accelerated quantum chemical modelling of molecular junctions and surface catalytic reactions

University of Warwick
Department of Chemistry
We are looking for a highly motivated and talented PhD candidate to join the UKRI Future Leaders Fellowship (FLF) research project of Dr. Read more
 Supervisor: Dr Z Koczor-Benda
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Development of AI framework for iPSC image analysis and integration with transcriptomics

Queen Mary University of London
Digital Environment Research Institute
A fully-funded PhD studentship is available to start by 30th September 2026 to work with Professor Viji Draviam, Professor of Quantitative Cell and Molecular Biology, QMUL, and Dr Wei Wei, Associate Principal Scientist, MSD. Read more
 Supervisor: Prof VM Draviam
 28 June 2026  PhD Research Project  Funded PhD Project (Students Worldwide)
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Towards self-replicating hybrid nanomaterials – a PhD in Synthetic Supramolecular Chemistry, Systems Chemistry and Nanomaterials

University of St Andrews
School of Chemistry
  Research Group: NanoSupra Group (Kay-Philp)
We have a fully funded PhD position available to develop reaction- and interaction-enabled nanoparticles for self-replicating nanomaterials. Read more
 Supervisor: Dr ER Kay
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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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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PhD position in synthetic inorganic/organometallic chemistry: New reactivity from unusual molecular main group compounds

University of St Andrews
School of Chemistry
The chemistry of the main group elements has seen some remarkable advances in the past years. Read more
 Supervisor: Dr A Stasch
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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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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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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