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University of Strathclyde Computational Chemistry PhD Projects

We have 17 University of Strathclyde Computational Chemistry PhD Projects

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Showing 1 to 10 of 17
  Atomic/Molecular insights into the formation of valuable products from waste biomass
  Dr X Zhang
Applications accepted all year round

Funding Type

PhD Type

Lignocellulosic biomass is a green alternative fossil resource to produce fuels (e.g. transport fuel, aviation fuel) and value-added products (e.g.
  Biodegradable plastic composites from renewable or waste sources
  Dr K Johnston, Dr L Lue
Applications accepted all year round

Funding Type

PhD Type

To reduce the amount of plastic waste in the marine environment, there is a strong incentive to switch to biodegradable polymers, which are ideally synthesised from renewable or waste streams, rather than from oil.
  Computational design of hierarchical porous materials
  Dr M Jorge
Applications accepted all year round

Funding Type

PhD Type

Materials that are porous at the nanoscale are used in a wide variety of applications, like gas separation, carbon capture, catalysis and drug delivery.
  Computational design of polymer thin films for flexible sensor devices
  Dr K Johnston, Dr L Lue
Applications accepted all year round

Funding Type

PhD Type

Ferroelectric (FE) materials offer many useful properties and are employed in various devices, including nonvolatile memory, capacitors, sensors and actuators.
  Designing colloidal films and membranes with complex interactions
  Dr M Haw
Applications accepted all year round

Funding Type

PhD Type

Porous films and membranes are important for applications such as adsorbing, separating and storing gases, cleaning water and soils, sensor devices and many others.
  Developing a multiscale description of complex fluids from the molecular to the continuum scales
  Dr L Lue, Dr D Kivotides
Applications accepted all year round

Funding Type

PhD Type

Engineers have traditionally used continuum equations to model processes, such as the Navier-Stokes equation for fluid flow. These methods require constitutive relations that encode the properties of the fluid; these are typically determined empirically and have limited predictive capabilities.
  Direct Numerical Simulation of Ferrofluid flows
  Dr D Kivotides, Dr P Grassia
Applications accepted all year round

Funding Type

PhD Type

Ferrofluids (magnetic or superparamagnetic fluids) are a special case of colloidal fluids, where single-domain, nanosize ferromagnetic partices are dispersed in a simple liquid.
  Direct numerical simulation of polymeric-fluid flows
  Dr D Kivotides, Dr P Grassia
Applications accepted all year round

Funding Type

PhD Type

Polymers and turbulence are two of the most difficult problems in statistical physics. In the past, the study of polymeric liquids was divided in two categories.
  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.
  Modelling the effect of the electric double layer on electron transfer kinetics
  Dr L Lue
Applications accepted all year round

Funding Type

PhD Type

Electron transfer between molecules in solution and a surface (e.g., a metallic electrode or semiconducting substrate) occurs in a wide variety of important areas, including catalysis, corrosion, electrodeposition, photochemistry, etc.
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