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Computational Chemistry PhD Research Projects

We have 45 Computational Chemistry PhD Research Projects

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Chemistry

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PhD Research Projects

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We have 45 Computational Chemistry PhD Research Projects

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Investigation of Greenhouse Gas Alternatives for Electrical Insulation

Manchester is home to one of the largest electrical and electronic engineering departments in the country. Our High Voltage Laboratory makes us a place renowned for applied research, a place ranked in the top three UK universities for research impact. 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

Development of a mobile urban cement plant

One issue for reusing construction/demolition waste (CDW) in cement clinker manufacture is establishing the supply chains and the associated transportation costs from urban areas to cement plants. 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

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
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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

Trifluoromethylation using Copper-based Reagents and Catalysts (co-funded by Syngenta)

The late-stage incorporation of fluorine into drug or agrochemical targets is highly desirable due to the unique pharmacological properties conferred by fluorine such as enhanced lipophilicity, bioavailability, and metabolic stability. Read more

PhD in Chemistry: Studies in heterogeneous catalysts

The Max Planck Centre for fundamental studies on heterogeneous catalyst was established in 2019 and has two themes operating on experimental heterogeneous catalysis; namely catalyst design and acetylene chemistry. Read more

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