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Computational Chemistry PhD Projects

We have 100 Computational Chemistry PhD Projects

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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]).
  High Power Renewable Energy Nano Catalysis – Fundamental and Applied Electrochemistry
  Prof A Schechter
Applications accepted all year round

Funding Type

PhD Type

The development of a low-cost, high-performance fuel cell is hindered by the lack of an active and electrocatalysts at the anode and cathode.
  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.
  Gold containing nanoalloy catalysts for redox reactions
  Prof G J Hutchings, Prof S Taylor
Application Deadline: 31 August 2019

Funding Type

PhD Type

Gold when alloyed with other metals can give enhanced activity in redox reactions. The aim of this PhD is to prepare gold containing nanoalloys as bimetallic or trmetallic formulations using a range of methods for example sol immobilisation.
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