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Computational Chemistry PhD Projects, Programmes & Scholarships in the UK

We have 32 Computational Chemistry PhD Projects, Programmes & Scholarships in the UK

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Discipline

Chemistry

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Location

United Kingdom

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I am a European student


We have 32 Computational Chemistry PhD Projects, Programmes & Scholarships in the UK

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Optimising Ti6-oxo-alkoxide clusters: molecules and metal-organic frameworks for visible light driven photocatalysis

Sustainable processes are a key requirement for future society, therefore, new methods to prepare important commodity chemicals and liquid fuels must be discovered which use sustainable energy (sunlight) and plentiful reagents (oxygen, carbon dioxide). Read more

Exploiting 17O solid-state NMR spectroscopy of catalysts and porous solids

This PhD studentship is an exciting opportunity to develop new approaches to solid-state NMR in collaboration with industry. 17O solid-state Nuclear Magnetic Resonance (NMR) spectroscopy is an excellent local probe of ordered and disordered materials, due to its large chemical shift range giving excellent discrimination between bulk and defect sites. 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

Predicting interfacial pH in micellar solutions: linking morphology with reactivity in aqueous surfactant systems

The pH at the surface of a micelle (local pH) can be markedly different (several pH units) to the bulk pH resulting in ionisable surfactants, such as CAPB being protonated while its pKa would suggest it was fully deprotonated. Read more
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PhD in Engineering - Data-Driven Digital Twins for Smart Manufacturing

The James Watt School of Engineering of the University of Glasgow is seeking a highly motivated graduate to undertake an exciting 3.5-year PhD project entitled ‘Data-Driven Digital Twins for Smart Manufacturing’ within the Systems, Power and Energy Division. Read more

Fundamental studies and applications of polymer mechanochemistry

The group’s core expertise is in polymer mechanochemistry (. https://pcwww.liv.ac.uk/~boulatov/en),. an emerging area of science at the interface of chemistry, physics and engineering. Read more

Advanced characterisation and development of coated membranes using terahertz radiation: EPSRC DTP-CASE PhD studentship (3.5 years) in Engineering Department at Lancaster University with Johnson Matthey

Funded by the Engineering and Physical Sciences Research Council (EPSRC) and Johnson Matthey, this CASE award aims to provide PhD students with a first-rate, challenging research training experience, within the context of a mutually beneficial research collaboration. Read more
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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

Probabilistic programming for discovery of sustainable materials

This position will remain open until a suitable candidate has been found so early applications are recommended. In this project, we aim to develop probabilistic machine learning models such as belief networks and variational autoencoders to revolutionize materials discovery. Read more

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

Discovery of new materials for applications on glass using Deep Machine Learning and Data Analytics

This opportunity will remain open until the position has been filled and so early applications are encouraged. The functionalisation of flat glass is a multi-billion dollar industry spanning applications including displays technology, energy saving windows and energy generation through photovoltaics. Read more

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