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Computational Chemistry (equality) PhD Projects, Programs & Scholarships

We have 11 Computational Chemistry (equality) PhD Projects, Programs & Scholarships

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  Informing Design of Novel Materials for Drug Pollution Remediation through Molecular Modelling
  Dr V Erastova
Applications accepted all year round

Funding Type

PhD Type

Summary. In this project, molecular modeling will be used to bring atomic-level understanding to the retention and release of contaminants by soils.
  The role of entropy in crystal structures
  Prof S Parsons
Applications accepted all year round

Funding Type

PhD Type

A fully-funded PhD studentship is available to work on a collaborative project held between The University of Edinburgh and The Cambridge Crystallographic Data Centre to work on the role played by entropy in molecular crystal structures.
  A molecular simulation and machine learning framework for the rational discovery of allosteric modulators of protein function
  Dr J Michel
Applications accepted all year round

Funding Type

PhD Type

Applications are invited for a PhD studentship in the Michel lab (http://www.julienmichel.net) in the area of biomolecular simulations and computer-aided drug design.
  Computational studies of prebiotic chemistry and photochemistry of RNA
  Dr R Szabla
Applications accepted all year round

Funding Type

PhD Type

A PhD studentship in computational chemistry is available in the group of Dr Rafal Szabla (School of Chemistry, The University of Edinburgh; http://www.chem.ed.ac.uk/staff/academic-staff/dr-rafal-szabla).
  The role of entropy in crystal structures
  Prof S Parsons
Applications accepted all year round

Funding Type

PhD Type

A 3 year fully-funded PhD studentship is available to work on a collaborative project held between The University of Edinburgh and The Cambridge Crystallographic Data Centre to work on the role played by entropy in molecular crystal structures.
  PhD inChemistry - Protein structural mimics through chemical ligation
  Dr D Thomson
Application Deadline: 1 July 2020

Funding Type

PhD Type

This project targets the interface between chemistry and biology. Chemistry has provided many reactions that can be used to join complex molecules together, these ‘ligation’ reactions are useful, but often leave behind chemical functionality that serves no purpose other than to connect fragments together.
  BioVision: bio-inspired computer vision using deep architectures (Advert Reference: SF19/EE/CIS/BELATRECHE)
  Dr A Belatreche, Dr F Khelifi
Applications accepted all year round

Funding Type

PhD Type

The primate visual system outperforms the existing automated vision systems in almost all measures.
  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.
  Computational design of metal-carbonaceous catalysts for the CO2 transformation into added-value chemicals
  Dr D Di Tommaso, Dr R Crespo-Otero
Application Deadline: 31 January 2020

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).
  PhD in Computational Chemistry: Understanding the effect of aggregation in light-emitting organic crystals
  Dr R Crespo-Otero, Dr D Di Tommaso
Application Deadline: 31 January 2020

Funding Type

PhD Type

A PhD position is available to start in September 2020 (or earlier if the successful candidate is available) 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”.
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