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Computational Chemistry PhD Research Projects

We have 61 Computational Chemistry PhD Research Projects

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We have 61 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

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

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

Sustainable CO2 storage: Assessing permeability and stability dynamics through experiments and simulations

Sustainable CO2 storage. Assessing permeability and stability dynamics through experiments and simulations. Summary. This project aims to shed light on how the permeability and stability of heterogeneous sandstonechanges through time if used for CO. Read more

NERC GW4+: Atmospheric data and machine learning for national emissions evaluation

Project Background. How do we know a country’s greenhouse gas (GHG) emissions? According to international treaties such as the United Nations Framework Convention on Climate Change (UNFCCC), the requirement is only that nations estimate and report their own emissions based on economic activity data. Read more

NERC GW4+: Design, preparation and implementation of sustainable materials for heavy metal remediation in rivers

A PhD studentship through the NERC GW4+ doctoral training partnership (. https://www.nercgw4plus.ac.uk/. ) on the design, preparation and implementation of sustainable materials for heavy metal remediation in rivers is available in the School of Chemistry at the University of Bristol. Read more

Simulation-led investigation and engineering of enzymes involved in abyssomicin antibiotic biosynthesis

Enzymes are remarkable biocatalysts that allow rapid, selective and efficient catalysis under mild conditions. Biotechnology exploits the outstanding rate-enhancing properties of these natural biocatalysts to manufacture high added-value products. Read more

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