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We have 200 computational chemistry PhD Projects, Programmes & Scholarships PhD Projects, Programmes & Scholarships
computational chemistry PhD Projects, Programmes & Scholarships PhD Projects, Programmes & Scholarships
We have 200 computational chemistry PhD Projects, Programmes & Scholarships PhD Projects, Programmes & Scholarships
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Postgraduate Research Scholarship in Computational Chemistry
A PhD scholarship in computational chemistry is available at the University of Sydney, Australia, in the team of Associate Professor Asaph Widmer-Cooper. Read more
Computational Modelling of Photocatalysts
Photochemical water splitting with molecular catalysts provides a promising route toward sustainable hydrogen production. At the heart of this process lies a molecular photosensitizer along with a catalyst. Read more
Computational Modelling of Organic Reaction Mechanisms
The objective of this project is to provide deep insight into a chosen organic reaction mechanism. The precise project can be aligned with your interests. Read more
Computational Modelling of Organic Reaction Mechanisms
The objective of this project is to provide deep insight into a chosen organic reaction mechanism. The precise project can be aligned with your interests. Read more
Development of new Gaussian basis sets for the lanthanides
Molecules containing lanthanide elements are currently of strong interest due to their use in fields such as catalysis, magnets, imaging, battery technologies and ultra-cold chemistry. Read more
Synthesis of macrocycles and medium-sized rings via new ring expansion approaches
Summary. Macrocycles (12+ membered rings) and medium-sized rings (8–11-membered) are cyclic molecules with great potential in many scientific fields and technologies – especially in medicinal chemistry. Read more
Computational modelling of two-dimensional graphene-based materials
Graphene is a novel material with outstanding electronic and mechanical properties. Chemical modification of graphene gives rise to new materials, such as graphene oxide and reduced graphene oxide, with properties very distinct from graphene and with possible applications in photocatalysis and batteries. Read more
Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents
Research Group:
Institute of Cancer Therapeutics
Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases (polySTs). Read more
Guiding the discovery of new materials using crystal structure prediction
Supervisory Team. Prof. Graeme Day. Project description. A fully funded PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant funded by the European Research Council. Read more
Computational modelling of mineral-organic binding in soil
Soils contain large amounts of organic matter (also called “soil organic carbon”). there is three times as much carbon stored in soil than in the atmosphere as CO. Read more
Discovery of new oxide ceramic materials
New inorganic materials are needed to advance technology and to develop our basic scientific understanding of the connection between chemical composition, crystal structure and physical properties. Read more
Experimental Discovery of New Inorganic Materials with Unique Crystal Structures
The properties of inorganic materials are determined by their crystal structures, and there are often a select few structural families which dominate the application areas for particular properties which can limit performance development. Read more
Last chance to apply
Computational Exploration of Novel Fluoride-Ion Battery Materials
The University of Bath is inviting applications for the following funded PhD project commencing in October 2023. Lead Academic Supervisor. Read more
Discovery of new optoelectronic materials for coatings on glass towards net zero technologies.
An opportunity for a 3.5 year PhD position supported by NSG Group towards the discovery of new materials as coatings on glass. This project aims to develop new materials for optoelectronic applications on glass to contribute to the net zero agenda. Read more