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Computational Chemistry PhD Projects, Programs & Scholarships

We have 9 Computational Chemistry PhD Projects, Programs & Scholarships

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  (BBSRC DTP) Isonitrile synthesizing nonheme iron enzymes: substrate scope and potential
  Research Group: Molecular Systems and Biomaterials
  Dr S De Visser, Dr A Green, Dr S Hay
Application Deadline: 31 January 2020

Funding Type

PhD Type

Cheap and efficient synthesis of drug molecules remains a challenge and often leads to a large amount of by-products. Nature has developed a large range of enzymes for Natural Product Synthesis, but only few of them are able to incorporate an isonitrile group into a substrate.
  Molecular modelling insights into the performance of polymeric coatings containing active corrosion inhibitors
  Research Group: Multiscale Modelling
  Dr F Siperstein, Prof X Zhou, Dr C Avendano
Application Deadline: 27 January 2020

Funding Type

PhD Type

Sustainable Coatings by Rational Design (SusCoRD) is a multi-disciplinary project which aims to, for the first time, connect a detailed scientific understanding of the mechanisms of coatings failure with state-of-the-art-machine learning to deliver a framework for the optimisation of protective coatings and nanocomposite materials.
  Novel ways to model complex flows
  Research Group: Multiscale Modelling
  Prof A Masters
Applications accepted all year round

Funding Type

PhD Type

While the equations governing the flow of Newtonian liquids like water or petrol are well-understood and excellent numerical methods exist to make accurate predictions of how such liquids will behave, the situation regarding complex fluids, such as blood, paint, shampoos, etc, is considerably less well understood.
  Combined modulation excitation neutron and X-ray methods to understand catalytic systems
  Prof C Hardacre
Applications accepted all year round

Funding Type

PhD Type

A longstanding challenge in liquid phase chemical science, is understanding the evolution of atomic and molecular structure of catalytically active sites during chemical reaction processes.
  Coupled flow-geomechanics for prediction of propagation and collapse of wormholes in matrix acidizing
  Dr M Babaei
Applications accepted all year round

Funding Type

PhD Type

Acidizing is an established technique to stimulate enhanced hydrocarbon recovery from carbonate reservoirs.
  Group Contribution methods for non-Newtonian fluids
  Dr C Avendano
Applications accepted all year round

Funding Type

PhD Type

Applications are invited for a fully funded 3.5 year PhD studentship in the School of Chemical Engineering & Analytical Science, University of Manchester.
  Numerical modelling and design of geothermal heat recovery from subsurface systems
  Dr M Babaei
Applications accepted all year round

Funding Type

PhD Type

In the geothermal energy technology, this is a common practice to drill a doublet (i.e. an injection and production well pair) system.
  Prediction of sustainability performance of ionic liquids using a group contribution framework
  Dr R Cuellar-Franca, Dr C Avendano, Prof C Hardacre
Applications accepted all year round

Funding Type

PhD Type

The versatility and wide range of applications of ionic liquids (ILs) offer industry with endless possibilities for sustainable innovation.
  Understanding structure-property relationships in non-Newtonian fluids
  Prof C Hardacre
Applications accepted all year round

Funding Type

PhD Type

Applications are invited for a fully funded 3.5 year PhD studentship to be conducted in the School of Chemical Engineering & Analytical Science in the University of Manchester and the UK’s neutron facility (ISIS) based in Oxfordshire.
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