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We have 49 quantum chemistry PhD Projects, Programmes & Scholarships

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quantum chemistry PhD Projects, Programmes & Scholarships

We have 49 quantum chemistry PhD Projects, Programmes & Scholarships

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PhD in Chemistry: Theory and Algorithms for ML Integrated Multiscale Electronic Structure

This PhD project will advance next‑generation multiscale electronic structure methods by integrating machine‑learning models with hierarchical QM/QM techniques. Read more
 Supervisor: Dr A Logsdail
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Supramolecular Host Engineering for Enhanced CWA Capture and Neutralisation

Applications are sought for a fully funded PhD 3-year 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 T Tarzia, Dr A Michalchuk
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Designing Self-Assembly of Discotic Liquid Crystals for Multifunctional Advanced Materials

A funded PhD studentship is available on a project focused on the photophysical and charge-transport properties, as well as the self-assembly, of discotic liquid crystals for the development of multifunctional advanced materials, using a variety of computational methods. Read more
 Supervisor: Dr D Chakrabarti
 Year round applications  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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CompuSem-AI: In Silico Design and Virtual Screening of Molecular Semiconductors

This project develops a platform to discover and optimize molecular semiconductors for next-generation organic electronics. Read more
 Supervisors: Dr T Nematiaram, Dr Y Moshfeghi
 30 December 2026  PhD Research Project  Self-Funded PhD Students Only
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Symmetry-restricted quantum parameterised circuit generative models

Supervisory team. Dr Srinandan Dasmahapatra. Recognising patterns in data to simulate their distributions is a machine learning task that can be enhanced by generating measurement samples from quantum states that are suitably prepared by parameterised quantum circuits. Read more
 Supervisor: Dr S Dasmahapatra
 30 September 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Surface Phonon Lifetimes and Energy Dissipation in Quantum and 2D Materials

How does energy flow and dissipate at the surfaces of quantum materials? Two PhD positions within the LiPhED project will investigate the microscopic dynamics of surface excitations, bringing together advanced surface-science experiments and computational materials physics. Read more
 Supervisors: Dr A Tamtögl, Prof EZ Zojer
 2 August 2026  PhD Research Project  Funded PhD Project (Students Worldwide)
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Computational Modelling of Nuclear Materials (Ref: CM/PG-SF1/2026)

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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PhD in Chemistry - Quantum Nanophotonics for Molecular Recognition

Start date. October 2026. Tiny changes in proteins — even single mutations — can completely transform how they bind to their targets. Read more
 Supervisors: Prof M Kadodwala, Dr W Peveler
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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High-purity rare-earth complexes for preparation of ultra-high power fibre optic lasers

Supervisory Team. Dr Richard Knighton, Prof. Geoffrey Hyett and Prof. Jayanta Sahu. The preparation of molecular rare-earth (lanthanide) complexes for chemical vapour deposition (CVD) is key to the development of rare-earth doped optical fibres for high-powered lasers. Read more
 Supervisor: Dr RK Knighton
 31 July 2026  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Engineering perfect superconducting qubits

Supervisors. Dr Dikai Guan Dikai.Guan@soton.ac.uk. Dr Bruce (Jun-Yu) Ou Bruce.Ou@soton.ac.uk. This project, within the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton (https://qte.ac.uk), carries a UKRI TechExpert enhanced annual stipend around £31k for UK students. Read more
 Supervisor: Dr D Guan
 31 July 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Design and synthesis of photoresponsive organic spin-state switches

Supervisors. Dr George Williams G.t.williams@soton.ac.uk; Dr Karl Michael Ziems K.M.Ziems@soton.ac.uk. Read more
 Supervisor: Dr G Williams
 31 July 2026  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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CVD Growth of Isotopically Engineered Carbon-Doped hBN Single-Photon Emitters

This PhD develops a new chemical vapour deposition (CVD) route to wafer-scale, quantum-grade hexagonal boron nitride (hBN) for room-temperature single-photon emitters, the building blocks of quantum communication and photonics. Read more
 Supervisor: Prof Tay, R.Y. Tay
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Generative AI for Designing Molecules with Tailored Properties

This project leverages advanced Generative AI (Gen-AI) models to accelerate the discovery of novel molecules with tailored physical properties. Read more
 Supervisors: Dr Y Moshfeghi, Dr T Nematiaram
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Rational design of heterogeneous catalysts for sustainable applications

Supervisory Team. Dr Sergio Vernuccio and Prof Chris Skylaris. This project aims to rationally design efficient heterogeneous catalysts for sustainable application, including photocatalytic transformation for hydrogen production and CO₂ reduction. Read more
 Supervisor: Dr SV Vernuccio
 Year round applications  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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Accessing New Chemistries: Tuning Reactivity Of Chemical Processes Using Ionic Liquids And Deep Eutectic Solvents (Ref: CG-AC-2524)

Ionic solvents are known to alter the outcomes of chemical processes by influencing their mechanism. Because of the wide variety of different ions that might make up an ionic solvent, there is enormous scope for tuning these processes. Read more
 Supervisor: Prof A Croft
 3 August 2026  PhD Research Project  Self-Funded PhD Students Only

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