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Computational Chemistry PhD Projects, Programmes & Scholarships

We have 114 Computational Chemistry PhD Projects, Programmes & Scholarships

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We have 114 Computational Chemistry PhD Projects, Programmes & Scholarships

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Computational Modelling of Organic Reaction Mechanisms

Loughborough University has seen 94% of our research impact rated as ‘world-leading’ or ‘internationally excellent’, underlining the wide-ranging positive impacts that our research has on the world (REF, 2021). Read more

Photolysis reaction mechanisms with emerging and new technologies

Background. Photochemistry controls a vast array of the natural and man-made processes known to science. photosynthesis, atmospheric and combustion chemistry, plasma technology, solar energy. Read more

In silico glycosylation of AlphaFold protein structural models.

Background. The recent release of the AlphaFold Protein Structure Database by DeepMind and EMBL-EBI has made available to the scientific community highly accurate structural predictions for 20,000 human proteins and those from 20 other biologically relevant organisms. Read more

Atmospheric chemistry of new green solvents

Background. Solvents make up the bulk of waste from the chemical industry yet little attention is paid to the environmental impact of these volatile organic compounds (VOC) once released to the atmosphere {1-2}. Read more

Advanced Functional Dyes

Background. Dyes have many practical applications in a wide variety of contexts. Examples of their use range from providing simple, stable colours on paper and textiles, to providing switchable colours in more advanced technology applications, such as those found in display devices. Read more

X-ray absorption and neutron spectroscopies of novel conducting thermoelectric MOFs

Supervisory Team.   Dr Iris Nandhakumar, Dr Darren Bradshaw. Project description. Applications are invited for a prestigious PhD studentship to work on an exciting interdisciplinary project between the Schools of Chemistry and. 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

Development of peptide hydrogel as an anticancer drug carrier

Growth in nanotechnologies can now be exploited to enable engineering of new drug delivery systems for enhancing the entrapment of drugs in nano-sized structures with tailored physical properties to suit therapeutic need. Read more

Accurate prediction of the melting curves of alloys with quantum molecular dynamics

A 4-year studentship is available in the UCL Earth Sciences Department to work on a computer simulation project to investigate the effect of impurity inclusions on the melting curves of metals as function of pressure. Read more

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