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Computational Chemistry PhD Projects, Programmes & Scholarships

We have 38 Computational Chemistry PhD Projects, Programmes & Scholarships






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We have 38 Computational Chemistry PhD Projects, Programmes & Scholarships

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Towards boosting photosynthesis by plant nanobionics

The department of Chemical Engineering at the University of Bath is inviting applications for the following fully funded PhD project, expected to commence in October 2022 or later. Read more

Discovery of high-temperature superconductors using Deep Learning

High temperature superconductivity has great promise to transform society through the transmission of electricity with zero resistance, though the underlying physics is complex and difficult to predict from first principles, and the space of possible materials is large and equally complex. Read more

Discovery of solid state electrolytes using Deep Learning

In the quest towards safer and higher capacity batteries to enable electrification and a net zero society, the development of an all-solid-state battery is a top priority, and is currently limited by the lack of a high-performance material to serve as a solid state electrolyte. 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

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

PhD scholarship in Chemistry

Important note. to start the recruitment procedure it is obligatory to obtain. an opinion of a research fellow. holding a scientific title or the academic degree of doctor habilitated on the possibility of providing supervision of a doctoral student in the event of admission to the Doctoral School. 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

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