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Computational Chemistry PhD Projects, Programs & Scholarships

We have 89 Computational Chemistry PhD Projects, Programs & Scholarships

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We have 89 Computational Chemistry PhD Projects, Programs & Scholarships

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Fully-funded PhD positions in several natural sciences & engineering disciplines

Join an internationally renowned scientific community with the Hector FellowPhD program. PhD students benefit not only from the experience of the program, but also from the network of Hector Fellows. Read more

Computation and Confirmation Experiments on Solvated Hydrogen Bonding Complexes

  Research Group: Chemistry and Biosciences
The creation of complexes between polymeric compounds drives many industrial / biological processes and has been extensively studied in well-defined biological compounds with uniform structures. Read more

Rational Control of Crystal Morphology

  Research Group: Chemistry and Biosciences
The external shape of crystalline particles (called morphology) is of paramount importance in a wide range of applications, in particular pharmaceuticals and pigments. Read more

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

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

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

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