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Computational Chemistry (testing) PhD Projects, Programs & Scholarships

We have 9 Computational Chemistry (testing) PhD Projects, Programs & Scholarships

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  Catalytic Science
  Prof R Catlow
Application Deadline: 31 August 2019

Funding Type

PhD Type

Applications are invited for a PhD studentship in the Cardiff Catalysis Institute (CCI) https://www.cardiff.ac.uk/cardiff-catalysis-institute, for work in collaboration with the UK Catalysis Hub https://ukcatalysishub.co.uk/ - a national network of catalytic science in the UK.
  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  Dr R A Bryce, Dr N Burton
Applications accepted all year round

Funding Type

PhD Type

In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.
  Exploiting druggability host spots in protein phosphatase targets
  Dr L Tabernero, Prof D Procter, Dr S Butterworth
Applications accepted all year round

Funding Type

PhD Type

In the past years the use of virtual screening or computer-based screening of compound libraries against selected targets has expanded exponentially the boundaries of drug discovery.
  Tailored multifunctional aerospace coating developments using bottom-up in silico techniques
  Dr S Hay, Dr J Blaker
Applications accepted all year round

Funding Type

PhD Type

There are pressing requirements across aerospace vehicles to develop unified coating systems, tailored to deliver a range of targeted multi-functional properties (e.g.
  Understanding microtexture effects on the properties of Ti forgings
  Research Group: Advanced Metallic Systems CDT
  Dr J Fonseca, Dr P Shanthraj
Application Deadline: 31 May 2019

Funding Type

PhD Type

The CDT in Advanced Metallics is a partnership between the Universities of Sheffield and Manchester and the I-Form Advanced Manufacturing Centre, Dublin.
  Inhibiting amyloid development using natural compounds: a molecular dynamics study
  Dr P Mulheran, Dr V A Ferro
Applications accepted all year round

Funding Type

PhD Type

Amyloid fibrils are highly ordered protein aggregates associated with many neurodegenerative diseases such as Alzheimer’s. Flavanoids, which are polyphenols such as curcumin present in the human diet, have been shown to inhibit fibril formation in tau protein which is abundant in neurons.
  PhD Studentship Opportunity in Investigating quantum effects in olfaction: combining simulation and closed/open quantum system analytic theory
  Prof J Al-Khalili, Prof J J Mcfadden
Application Deadline: 31 May 2019

Funding Type

PhD Type

Olfaction (smell) is a fascinating but challenging field in science. Theories for the signalling transduction mechanism are still disputed and hotly debated, and not yet established.
  Exploiting the Collective Behaviour of Catalytic Colloids to Make Optoelectronic Devices
  Dr S Ebbens
Applications accepted all year round

Funding Type

PhD Type

Catalytic active colloids are able to produce rapid enhanced motion but also possess unusual additional interactions. The interactions can cause colloids to organise into new arrangements that can have interesting optoelectronic properties, which may be used for new technologies.
  Reactive Inkjet Printing of Functional Swimmers
  Dr X Zhao
Applications accepted all year round

Funding Type

PhD Type

Production of small-scale devices that can autonomously generate thrust via catalytic reactions within fluidic environments has become an increasingly active field and has led to a focus on potential applications including environmental monitoring and remediation, in vivo drug delivery and repair, and lab on a chip diagnostics.
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