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Computational Chemistry (behaviour) PhD Projects, Programs & Scholarships

We have 20 Computational Chemistry (behaviour) PhD Projects, Programs & Scholarships

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  iCASE: Formulation Behaviour at Complex Liquid-Solid Interfaces
  Research Group: Multiscale Modelling
  Dr F Siperstein, Dr A Patti
Application Deadline: 28 June 2020

Funding Type

PhD Type

A fully-funded iCASE PhD position in Formulation Behaviour at Complex Liquid-Solid Interfaces is available in the Multiscale Modelling Group at the University of Manchester, working with Dr Flor Siperstein and Dr Alessandro Patti, in collaboration with Dr Breanndán Ó Conchúir from IBM Research UK.
  NEUROSCAPE - a Virtual Reality Artificial Environment for simulated neural development studies
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Co-supervisor Dr Graeme Bragg, Professor John Chad. Project description.
  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).
  Reversing the Decline of Innovation in Australian Manufacturing and Services
  Dr S Tavassoli, Prof AL Mention
Applications accepted all year round

Funding Type

PhD Type

The aim of the project is to investigate the pattern of Australian firms’ innovation, in terms of technological (product and process) as well as non-technological (marketing and organisational) innovations.
  Dyes and Liquid Crystals: Molecular Designs for Guest-Host Applications
  Dr J N Moore, Dr S Cowling
Applications accepted all year round

Funding Type

PhD Type

Background. A variety of devices for colour and monochrome displays can be obtained by incorporating a dye as a guest in a liquid crystalline (LC) host, providing a flexible route to light-scattering devices that can operate in strong ambient light, including outdoors.
  Reactive transport modelling of CO2 trapping mechanisms within potential storage sites
  Dr S Shariatipour, Prof E Ganjian
Application Deadline: 1 May 2020

Funding Type

PhD Type

Coventry University (CU) is inviting applications from suitably-qualified graduates for a fully-funded PhD studentship. This project aims at assessing the feasibility of CO2 storage in different underground formations.
  Four Year PhDs in Cancer, Immunology and Biomedicine

Funding Type

PhD Type

The Faculty of Medicine at the University of Southampton has a strong reputation in research, enterprise and education, with an emphasis on translating new discoveries from basic science into clinical innovation.
  Development of novel refrigerants with low global warming potential (Advert Reference: SF19/EE/MCE/VICENTE)
  Dr YS Vicente, Prof K Mahkamov
Applications accepted all year round

Funding Type

PhD Type

In 2016, a global environmental agreement was introduced to phase out the production and consumption of hydrofluorocarbon refrigerants with global warming potential (GWP) by years 2036 to 2047, starting in 2019.
  PhD scholarship in atomic scale simulations of the oxygen reduction reaction at the solid-liquid interface
  Assoc Prof H. A. Hansen
Application Deadline: 14 April 2020

Funding Type

PhD Type

The Section for Atomic Scale Materials Modelling at DTU Energy, Technical University of Denmark (DTU), invites applications for a PhD scholarship on atomic scale simulations of the oxygen reduction reaction at the solid-liquid interface in fuel cell cathodes.
  Multi-Scale Modelling of Composite Materials
  Research Group: Imaging and Characterisation
  Dr P Carbone, Prof W J Parnell
Application Deadline: 31 July 2020

Funding Type

PhD Type

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Dr Carbone and Prof Parnell at the University of Manchester.
  Accurate energy evaluation of receptor-ligand interaction
  Prof P Popelier, Dr S De Visser
Applications accepted all year round

Funding Type

PhD Type

Drug design routinely uses existing computational methods to evaluate the interaction energy between receptor (protein) and ligand (drug) in molecular docking.
  Establishing NMR chemical shifts as reliable reporters of atomic charge distributions in enzymes
  Prof J Waltho, Prof P Popelier
Applications accepted all year round

Funding Type

PhD Type

Enzymes are not only central to life but also to the growing need to harness elements of the natural world to the benefit of mankind.
  Machine-learning design of novel magnets
  Prof S Sanvito
Applications accepted all year round

Funding Type

PhD Type

A PhD position is available from September 2019 in the School of Physics and the CRANN Institute (www.crann.tcd.ie) at Trinity College Dublin (Ireland).
  Simulations of charge transport in organic polymer semiconductors
  Prof A Walker
Applications accepted all year round

Funding Type

PhD Type

The University of Bath is inviting applications for the following PhD project supervised by Prof Alison Walker in the Department of Physics.
  Dissipative particle dynamics (DPD)
  Research Group: Sustainable Electronic Technologies
  Prof A Brown
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Prof Andrew Brown. Project description. Scaling simulations of biological and chemical systems is reaching limits. the computational cost of simulating a physical system scales at least as fast as the cube of its linear dimension.
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