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Computational Chemistry PhD Projects, Programmes & Scholarships

We have 121 Computational Chemistry PhD Projects, Programmes & Scholarships

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We have 121 Computational Chemistry PhD Projects, Programmes & Scholarships

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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

PhD studentship in Artificial Intelligence for Phenotypic Virtual Screening

Environment. Imperial College London is consistently rated as one of the World’s leading universities (. https://www.topuniversities.com/university-rankings/world-university-rankings/2022. Read more

Sustainable production of fuels and chemicals via biomass valorisation

Applications are invited for our EPSRC funded Doctoral Training Partnership (DTP) PhD studentships that will support six (6) research projects starting 1 October 2022. Read more

Investigation of Formulation Design Solutions for Low Global Warming Potential Pulmonary Drug Delivery Systems

  Research Group: Chemistry and Biosciences
In 1987 the Montreal Protocol defined a pathway to eliminate the compounds proven to be harmful for the ozone, such as chlorofluorocarbon (CFC) employed as propellants in pressurised metered dose inhalers (pMDIs). Read more

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