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Computational Chemistry PhD Projects, Programmes & Scholarships in the UK

We have 105 Computational Chemistry PhD Projects, Programmes & Scholarships in the UK






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We have 105 Computational Chemistry PhD Projects, Programmes & Scholarships in the UK

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Deployable tritium detector using diamond voltaic structures for use in fusion fuel handling facilities

The climate emergency requires significant urgent advancement of a range of technologies to produce cleaner power. Fusion power is a key component of a range of climate change tackling advances which are required, hence the recent significant investment in fusion R&D at the UKAEA and worldwide. Read more

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

Anomaly detection in sequential single-molecule data

Single-molecule measurements, for example current-time or current-distance recordings from single-molecule detectors, usually produce data that are characterised by large variance and high levels of "noise". 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

Non-Markovian Open Quantum Systems

Over the past few years, evidence has accumulated suggesting that certain atomic and molecular processes inside living cells depend on quantum effects in a crucial way. Read more

Electronic properties of next generation perovskite solar cell materials

There is a new class material that is already showing the potential to compete with silicon in solar cell technology. These new materials are based on the metal halide perovskite system and the aim of the PhD is to relate the structural properties to the electronic properties. 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

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