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Computational Chemistry PhD Projects, Programs & Scholarships in the UK

We have 91 Computational Chemistry PhD Projects, Programs & Scholarships in the UK

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  Antimatter Chemistry: reactive scattering collisions of antihydrogen atoms with hydrogen molecules
  Dr M Law, Dr W T A Harrison
Applications accepted all year round

Funding Type

PhD Type

Recently interest in antimatter research has increased as facilities such as CERN have succeeded in trapping antimatter atoms to study their properties [1].
  Enhanced Oil Recovery (EOR) from depleted Sandstone and Carbonate/chalk reservoirs
  Dr P Jadhawar, Dr H Hamidi
Applications accepted all year round

Funding Type

PhD Type

Nearly one third of the oil is left behind in the reservoir after the primary and secondary recovery methods of oil recovery.
  Process models for Portland cement manufacturing
  Dr M N Campbell-Bannerman, Dr P Kechagiopoulos
Applications accepted all year round

Funding Type

PhD Type

Cement is the most ubiquitous product after drinking water, with 4.1B tons produced in 2017 alone, enough for half a ton per person per year worldwide.
  Thermally superconducting and superinsulating nanofluids and their use in nanodevices
  Dr M N Campbell-Bannerman, Dr J Derksen
Applications accepted all year round

Funding Type

PhD Type

Nanotechnology is the forefront of a new industrial revolution. As the scale of new devices shrink, the design bottle-neck becomes getting rid of waste heat.
  Deep-learning for semantic-based information extraction from natural language
  Research Group: Computing, Informatics and Applications Research Group
  Dr A Fatima, Dr C Luca
Applications accepted all year round

Funding Type

PhD Type

Research Group. Computing, Informatics and Applications Research Group. Proposed supervisory team. Dr Arooj Fatima ([email protected]).
  Early-Stage Researcher in European Industrial Doctorate project MOCCA - Multiscale optical frequency
  Prof S Turitsyn
Application Deadline: 22 September 2019

Funding Type

PhD Type

prestigious three year postgraduate position as Early Stage Researcher (ESR) within the European Industrial Doctorate project MOCCA.
  Computation-led materials design for heterogeneous catalytic applications
  Dr A Logsdail
Applications accepted all year round

Funding Type

PhD Type

Computation-led materials design for heterogeneous catalytic applications. PhD Supervisor. Dr. Andrew J. Logsdail http://www.cardiff.ac.uk/people/view/481607-logsdail-andrew.
  Computer simulation of metal-amyloid interaction and its role in plaque formation
  Dr J Platts
Applications accepted all year round

Funding Type

PhD Type

Alzheimer’s disease is one of the greatest healthcare challenges facing 21st century society. AD is associated with formation of fibrils and plaques in brain tissue that impair proper functioning of neurons.
  EPSRC Centre for Doctoral Training in Nuclear Energy Futures

Funding Type

PhD Type

Applications are invited for four-year fully-funded PhD studentships starting in October 2019 at either Imperial College London, University of Cambridge, University of Bristol, The Open University or Bangor University.
  Hybrid Catalytic Systems for Sustainable Chemical Processing
  Dr x Wang
Application Deadline: 25 September 2019

Funding Type

PhD Type

Catalysis plays a critical role in modern society, where 90% of all chemical processes involve heterogeneous catalysts. Nevertheless, heterogeneous and biological catalysis is still considered as one of the top 24 challenges in chemistry when asking “what’s next” in 2015 [1].
  EPSRC Centre for Doctoral Training in the Science and Applications of Graphene and Related Nanomaterials (Graphene-NOWNANO)

Funding Type

PhD Type

University of Manchester & Lancaster University, North West Nanoscience Doctoral Training Centre. Graphene NOWNANO is a recently established Centre for Doctoral Training (CDT) at the University of Manchester in partnership with Lancaster University.
  Statistical and machine learning methods for risk prediction of cardiovascular diseases from complex longitudinal data
  Dr G Czanner, Dr I Olier, Prof P Lisboa, Prof G Lip
Applications accepted all year round

Funding Type

PhD Type

Project description. Risk prediction models are used in clinical decision making and are used to help patients make an informed choice about their treatment.
  Fractal structures in multidimensional chemical reaction dynamics
  Dr T Bartsch
Application Deadline: 31 March 2020

Funding Type

PhD Type

In many chemical reactions the reaction rate is determined by the crossing of an energy barrier. In order to predict whether a reaction will occur, one must understand the dynamics of the crossing in as much detail as possible.
  Emerging application of gas plasma technologies
  Dr F Iza
Applications accepted all year round

Funding Type

PhD Type

Gas plasmas generate reactive environments at low temperature that can trigger chemical and bio-chemical processes that are hard to initiate by other means.
  Computational modelling of protein dynamics in heart disease
  Dr A Fornili
Applications accepted all year round

Funding Type

PhD Type

Applications are invited from self-funded candidates interested in completing a PhD starting in October 2019 in the group of Dr Arianna Fornili (https://afornililab.wordpress.com) in the School of Biological and Chemical Sciences at Queen Mary University of London.
  Rational design of selective modulators of skeletal myosin
  Dr A Fornili, Dr J Ochala
Application Deadline: 14 October 2019

Funding Type

PhD Type

Applications are invited for a PhD studentship funded by Muscular Dystrophy UK (MDUK) starting January 2020 in Dr. Arianna Fornili’s group at Queen Mary University of London and Dr.
  The contradictory functions of carotenoid-based light-harvesters: Understanding energy harvesting and dissipation in the Fucoxanthin-Chlorophyll Protein (FCP)
  Dr C Duffy
Applications accepted all year round

Funding Type

PhD Type

The School of Biological and Chemical Sciences at Queen Mary is one of the UK’s elite research centres, according to the 2014 Research Excellence Framework (REF).
  Understanding the effect of aggregation in light-emitting organic crystals
  Dr R Crespo-Otero, Dr D Di Tommaso
Application Deadline: 30 September 2019

Funding Type

PhD Type

A PhD position is available to start in January/February 2020 at Queen Mary University of London (QMUL) in the Crespo-Otero group (https://crespootero.wordpress.com), to work on the project “Understanding the effect of aggregation in light-emitting organic crystals”.
  Optoelectronics Gas Sensors
  Dr H Shakeel
Application Deadline: 5 October 2019

Funding Type

PhD Type

Project Description. Silicon photonics is a rapidly growing industry, potentially reaching an annual value of over a billion dollars in the coming decade.
  Reconfigurable 2D Meta-materials Design
  Dr H Shakeel
Application Deadline: 5 October 2019

Funding Type

PhD Type

Silicon photonics is a rapidly growing industry, potentially reaching an annual value of over a billion dollars in the coming decade.
  Molecular interactions in solution for multi-component crystallisation
  Dr K Edkins, Dr J Holbrey
Applications accepted all year round

Funding Type

PhD Type

Crystallisation is probably one of the most important unit operations in pharmaceutical industry for purification, as well as the generation of materials appropriate for formulation and application to the patient.
  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.
  Odd metal clusterings and peculiar phases in nuclear extraction processes
  Prof A Masters
Applications accepted all year round

Funding Type

PhD Type

At the end of a nuclear reaction, many countries seek to recover unspent uranium and plutonium from the spent fuel. The most common way to do this is to dissolve the spent fuel in nitric acid, add some oil and also a special ligand.
  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.
  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.
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