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Gdansk University of Technology Featured PhD Programmes
Scuola Superiore SantAnna Featured PhD Programmes

Computational Chemistry PhD Projects, Programmes & Scholarships

We have 77 Computational Chemistry PhD Projects, Programmes & Scholarships

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I am a UK student


We have 77 Computational Chemistry PhD Projects, Programmes & Scholarships

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Development of Novel Nitrate/ Nitrite Reduced and Nitrate/ Nitrite Free Meat Products

PhD Opportunity. Teagasc is offering a Post-graduate opportunity in meat products development. The ‘No-2- Nitrates’ project (a collaboration between Teagasc, UCD and TU Dublin) is funded by the Department of Agriculture, Food and the Marine. Read more

PhD in Chemistry: Artificial metalloenzymes for catalysing new-to-nature reactions

In the Rhys lab we design and engineer peptides and proteins for new applications. For this project we are looking for a PhD student who is interested in developing new enzymes to catalyse reactions that are not known to occur in nature. Read more
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Optimising Ti6-oxo-alkoxide clusters: molecules and metal-organic frameworks for visible light driven photocatalysis

Sustainable processes are a key requirement for future society, therefore, new methods to prepare important commodity chemicals and liquid fuels must be discovered which use sustainable energy (sunlight) and plentiful reagents (oxygen, carbon dioxide). Read more

PhD in Computing Science and Chemistry - Chemputation and Chemputability: Reasoning about autonomous chemical synthesis

Applicants are invited for a fully funded PhD studentship (UK fees + stipend at Research Council rates) in an interdisciplinary project between the Schools of Computing Science and Chemistry at the University of Glasgow. Read more

PhD studentship in Catalysis and Machine Learning

Introduction. Transition to net zero demands replacement of non-renewable resources with renewable alternatives. In the chemical industry, a promising solution is to substitute petroleum for annually renewable and non-edible organic matter (“biomass”). Read more

Exploiting 17O solid-state NMR spectroscopy of catalysts and porous solids

This PhD studentship is an exciting opportunity to develop new approaches to solid-state NMR in collaboration with industry. 17O solid-state Nuclear Magnetic Resonance (NMR) spectroscopy is an excellent local probe of ordered and disordered materials, due to its large chemical shift range giving excellent discrimination between bulk and defect sites. Read more

Towards particle design of pharmaceutical crystals

This project is being pursued in collaboration with AstraZeneca and the successful applicant will be part of a larger research group supervised by Dr Cruz-Cabeza and Dr Ashwin Rajagopalan. Read more

Predicting interfacial pH in micellar solutions: linking morphology with reactivity in aqueous surfactant systems

The pH at the surface of a micelle (local pH) can be markedly different (several pH units) to the bulk pH resulting in ionisable surfactants, such as CAPB being protonated while its pKa would suggest it was fully deprotonated. Read more

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