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Computational Chemistry PhD Projects, Programs & Scholarships

We have 90 Computational Chemistry PhD Projects, Programs & Scholarships

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Maths & Computing

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We have 90 Computational Chemistry PhD Projects, Programs & Scholarships

Computational f Element Chemistry

Research in the Kaltsoyannis group focuses on the computational determination of the electronic structure and bonding in molecules and solids from all areas of the periodic table, with particular emphasis on compounds of the f elements. Read more

Design and synthesis of novel iron chelators as a therapy for thalassaemia patients.

Iron overload can be a huge issue for people coping with thalassaemia. This project will involve the synthesis of novel ion chelators that are effective and ultimately exhibit less side-effects of existing treatments. Read more

Modelling photosynthetic water oxidation

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular how the water oxidising complex, facilitates electron transfer and also helps stabilise these radical species to maintain a charge separated state. Read more

Computational modelling of 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

Computational photochemistry/Vibrational control in transition metal complexes

Controlling the outcome of chemical reactions is arguably one of the holy grails of chemical physics. Recent experiments1 have shown that it is possible to direct a photophysical process using infrared light, taking a step towards achieving this goal. Read more

Additive manufacturing (3D print) of tools for plastic injection moulding

This project offers a chance to work on a truly disruptive and innovative research project in the high-tech and high-value manufacturing, with very high potential impact in aerospace and energy sectors. Read more

Centre for Secure, Intelligent and Usable Systems

Software systems are an important and critical component of human society, used in areas such as healthcare, finance, transportation, power, military, education and telecommunications. Read more

School of Chemistry - Cardiff University

 . Applications welcome. We welcome applications from UK, EU and International applicants wishing to study for a Chemistry PhD or MPhil at Cardiff University. Read more

PhD in Systems Medicine

 . The PhD Program aims to train young and motivated researchers in the wide field of modern Biomedicine, with curriculum in. Read more

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