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Computational Chemistry (chemical) PhD Projects, Programs & Scholarships

We have 95 Computational Chemistry (chemical) PhD Projects, Programs & Scholarships

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  PhD Studentship – Predicting Skin Interactions and Permeation of Chemical Agents using Computational Modelling
  Prof J W Essex
Applications accepted all year round

Funding Type

PhD Type

Co-Supervisor. Dr Thomas J Piggot (Dstl). The skin is the outermost barrier for most of the human body. The majority of chemicals that come into contact with the body will initially do so through an interaction with the skin.
  Multidisciplinary PhD Programme (3.5 years) Centre for Sustainable Chemical Technologies

Funding Type

PhD Type

Multidisciplinary PhD Programme (3.5 years). Centre for Sustainable Chemical Technologies. The Centre for Sustainable Chemical Technologies at the University of Bath is now accepting applications for the October 2019 intake.
  Chemical control of vibronic coupling for magnetic materials (Computational)
  Dr N Chilton, Dr J Skelton
Application Deadline: 31 December 2019

Funding Type

PhD Type

Coupling of molecular vibrations to electronic states (vibronic coupling) is a fundamental process that affects the outcome of chemical reactions and physical processes, but it is remarkable how little we know about it.
  Chemical control of vibronic coupling for magnetic materials (Experimental)
  Dr N Chilton, Prof E McInnes
Application Deadline: 31 December 2019

Funding Type

PhD Type

Coupling of molecular vibrations to electronic states (vibronic coupling) is a fundamental process that affects the outcome of chemical reactions and physical processes, but it is remarkable how little we know about it.
  Crystal structure prediction based NMR crystallography
  Dr G Day
Applications accepted all year round

Funding Type

PhD Type

Project description. A fully funded 4 year PhD studentship is available in computational materials chemistry at the University of Southampton.
  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.
  EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences - Fully funded 4-year doctoral studentships

Funding Type

PhD Type

TMCS is the UK's only Centre for Doctoral Training dedicated to computational and theoretical chemistry. In the TMCS programme, you will receive integrated, in-depth training in the core areas of.
  EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences - Fully funded 4-year doctoral studentships

Funding Type

PhD Type

TMCS is the UK's only Centre for Doctoral Training dedicated to computational and theoretical chemistry. In the TMCS programme, you will receive integrated, in-depth training in the core areas of.
  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.
  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.
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