Chemistry (modelling) PhD Projects, Programmes & Scholarships

We have 135 Chemistry (modelling) PhD Projects, Programmes & Scholarships

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Geochemical Controls on Radionuclide Transport and Fate in Sedimentary Rock – A combined experimental and modelling study

The University of Manchester Department of Earth and Environmental Sciences

Context. The UK has been generating electricity from nuclear power for over sixty years. Consequently, the safe disposal of the UK’s existing ~750,000 m3 of radioactive waste is a clear priority. Read more

Supervisors: Prof S Shaw, Prof K Morris, Dr LL Abrahamsen-Mills

30 April 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

Year round applications PhD Research Project Self-Funded PhD Students Only

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Computational modelling of melting plastic particle flows: fundamental physics, reactor design and topology optimisations

University of Birmingham EPSRC Centre for Doctoral Training

Industrial Partner. Aquapak. Industrial Supervisor. Cloudia Mejie, Aquapak. Duration of the PhD. 4 years. Project Description. Read more

Supervisors: Dr M Jangi, Dr C Windows-Yule

30 April 2024 PhD Research Project Funded PhD Project (European/UK Students Only)

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Computational Modelling of Organometallic Reactivity and Catalysis

University of St Andrews School of Chemistry

A PhD position is available in the group of Prof. Stuart Macgregor to work on the computational modelling of organometallic reactivity and catalysis. Read more

Supervisor: Prof S Macgregor

26 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

University of Edinburgh School of Engineering

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

Supervisor: Dr ER Ricci

26 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Novel materials-modelling strategies to guide experimental design and optimisation of high-entropy alloys

The University of Manchester Department of Chemistry

High-entropy alloys (HEAs) are a new class of crystalline materials incorporating five or more components distributed homogenously over atomic sites. Read more

Supervisors: Dr J Skelton, Dr D Lewis

31 July 2024 PhD Research Project Self-Funded PhD Students Only

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Using Data-Driven and Knowledge-Informed Modelling to Improve Vaccine Manufacturing

University of Sheffield Department of Chemical & Biological Engineering

This PhD will use modelling tools to predict and improve the quality, cost and reliability of vaccine or other pharmaceutical processes. Read more

Supervisors: Prof J Cordiner, Dr Z Kis

30 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

University of Warwick Department of Chemistry

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Supervisor: Dr BK Karasulu

3 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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Atomistic insight into the interactions of small molecules with PuO2 surfaces

The University of Manchester Department of Chemistry

The safe long-term storage of spent nuclear fuel is of paramount importance. Crucial to this is understanding the interactions between absorbed gases and water with the surfaces of PuO. Read more

Supervisors: Dr J Skelton, Prof N Kaltsoyannis, Dr J Flitcroft

Year round applications PhD Research Project Competition Funded PhD Project (UK Students Only)

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Advancing dispersion modelling of radioactivity releases resulting from increasingly frequent Chernobyl Exclusion Zone (ChEZ) wildfire events.

University of Bristol Chemistry

The April 2020 fires that ravaged the Chernobyl Exclusion Zone (ChEZ) were the most extensive to have ever occurred - burning large areas of heavily contaminated land that could have released significant quantities of radioactive material across the whole of Europe. Read more

Supervisor: Dr P Martin

31 July 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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EPSRC supported ENGD Project. Inverse Modelling of Reaction Vessels for Optimal Control

University of Birmingham School of Chemical Engineering

Johnson Matthey [JM] makes formulated products, catalysing the net zero transition. These are heavily characterised and tested during product development and manufacturing. Read more

Supervisors: Dr E Lopez-Quiroga, Dr T Abadie

Year round applications PhD Research Project Funded PhD Project (Students Worldwide)

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Accurate and Efficient Modelling of X-ray Spectra for the Nuclear Fuel Cycle

The University of Manchester Department of Chemistry

Leading nations are transitioning to renewable energy and reducing carbon emissions with a major focus on increasing resource efficiency and sustainability. Read more

Supervisors: Dr M Oakley, Dr M Baker

26 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Modelling exsolution: materials design for sustainable energy

University of Strathclyde Department of Chemical and Process Engineering

One of the primary challenges for the global community is the supply of plentiful and affordable energy, moving the world away from dependence on fossil fuels by providing green alternatives. Read more

Supervisors: Dr P Mulheran, Dr D Neagu

Year round applications PhD Research Project Self-Funded PhD Students Only

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New Methods for modelling cofactor-dependent enzyme structure and function

The University of Manchester Department of Chemistry

Enzymes are Nature’s catalysts and many used cofactors and/or coenzymes to catalyse their reactions. While AI and homology methods now often allow the useful prediction of protein structure from amino acid sequence, this can be more challenging when the protein/enzyme contain cofactors. Read more

Supervisor: Prof S Hay

27 October 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Modelling and Computation for Radiation Chemistry at Interfaces

The University of Manchester Department of Mathematics

This project is an interdisciplinary collaboration between Mathematics and Chemistry. Real-world applications include safe radioactive wate disposal, plutonium stewardship and radiation based cancer care. Read more

Supervisors: Dr M Webb, Prof F Currell

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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We have 135 Chemistry (modelling) PhD Projects, Programmes & Scholarships

Chemistry (modelling) PhD Projects, Programmes & Scholarships

We have 135 Chemistry (modelling) PhD Projects, Programmes & Scholarships

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