Norwich Research Park Featured PhD Programmes
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Computational Chemistry PhD Research Projects

We have 122 Computational Chemistry PhD Research Projects



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We have 122 Computational Chemistry PhD Research Projects

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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

New chemical and microscopy tools targeting the complement system in neuroinflammation

This BBSRC studentship provides a rare opportunity to work across disciplines - combining medicine, chemistry and physics – to generate new insight into debilitating neurodegenerative disease, potentially benefitting millions of patients worldwide. Read more

PhD in Chemistry: Imaging the Atomic Structure of Nanoparticles in Three-Dimensions

This project will take advantage of a new world-leading electron microscope at Cardiff University, in order to determine the atomic structure of nanoparticles in three dimensions. Read more

Computer simulation of metal-amyloid interaction and its role in plaque formation

Alzheimer’s disease is one of the greatest healthcare challenges facing 21st century society. AD is associated with formation of fibrils and plaques in brain tissue that impair proper functioning of neurons. Read more

Luminescent metal complexes as membrane mechano-probes

We are looking for a highly motivated graduate with a strong interest in supramolecular chemistry and membrane biophysics for a 3.5-year full-time potential EPSRC studentship at the Department of Chemistry of the University of Sheffield under the supervision of Prof Jim Thomas, Dr Barbara Ciani and Prof Anthony Meijer. Read more

The Spin Deep Within: Physics of Ferropericlase in the Earth’s Lower Mantle

1. Introduction. Even though we live on the surface of the Earth, its mantle in many ways remains a mystery. In particular, there are some fundamental properties of the rocks that comprise the mantle, thousands of kilometers beneath our feet, which remain poorly understood. Read more

Enhancing clinical metabolomic studies through improved laboratory and bioinformatics tools

Applications will be reviewed until a suitable candidate is appointed and funding is available. Metabolites play many important roles in humans including in metabolism of food, synthesis of proteins and DNA, in signalling and regulation of biochemical mechanisms and in the development and progression of diseases. Read more

WR DTP iCASE fully-funded project with Eluceda : Engineering proteins for applications in biosensors

At the heart of many biosensors is a protein that has been engineered to bind the target molecule. To be able to perform this function, the protein needs to bind its target with high affinity and specificity while immobilised on a sensor surface. Read more

Modelling the effect of the electric double layer on electron transfer kinetics

Electron transfer between molecules in solution and a surface (e.g., a metallic electrode or semiconducting substrate) occurs in a wide variety of important areas, including catalysis, corrosion, electrodeposition, photochemistry, etc. Read more

Predicting drug solubility in different solvents using molecular simulation and machine learning

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more

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