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computational chemistry PhD Projects, Programs & Scholarships

We have 167 computational chemistry PhD Projects, Programs & Scholarships

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  New Methods of Geometry Relaxation in Computational Chemistry and Materials Science
  Dr M Dyer, Prof P Krysta, Dr R Savani
Application Deadline: 31 July 2019
This position will remain open until a suitable candidate has been found. This PhD position is funded by the Leverhulme Centre for Functional Materials Design that has been recently launched at the University of Liverpool.
  Graduate Studentship in Theoretical/Computational Chemistry: calculations of the spin dynamics and magnetic sensitivity of cryptochromes and related compounds
  Prof P Hore
Application Deadline: 25 January 2019
Ref. PJH/ERC/Theo/2019. Applications are invited for a DPhil studentship in Theoretical/Computational Chemistry available from 1st April 2019, to work with Professors Peter Hore and David Manolopoulos.
  Integrative Computational Biology and Machine Learning: Combining computational biology, computational chemistry, and machine learning techniques with biological big data to unravel the higher genomic code of life
  Dr A Sahakyan, Prof P McHugh
Application Deadline: 26 July 2019
In the Sahakyan Group, we strive to make computational biology maximally independent from empirical experimental data, by basing our models and predictions on genomic sequences and core biological mechanisms.
  Decision making through artificial chemical intelligence
  Dr J Slattery, Prof I J S Fairlamb
Applications accepted all year round
Automation will transform the chemical landscape. Powerful robotic platforms can perform reactions or analyses much more rapidly than traditional approaches.1 Ever faster computers allow huge numbers of molecules to be studied in an automated way using computational chemistry.
  Green Chemistry for Selective Functionalisation of C-H bonds to C-C and C-X bonds
  Prof JA Murphy, Prof T Tuttle
Applications accepted all year round
This project is funded at the University of Strathclyde (supervisor for this studentship). Prof John Murphy. This project arises from recent discoveries of new chemistry in the Murphy group and involves conversion of C-H to C-X bonds.
  Computational Identification of New Inorganic Materials for Automotive Applications
  Prof M Rosseinsky, Dr M Dyer
Application Deadline: 14 May 2019
This position will remain open until a suitable candidate has been found. This 42 month PhD project will apply new computational techniques to discover materials for application as pigments in the automotive industry with reduced environmental and energy impact compared to existing materials.
  Machine learning in quantum chemistry - using machine learning to improve the results of quantum chemical calculations
  Dr JG Hill
Applications accepted all year round
Machine learning methods have seen a great deal of recent success in a number of technological fields, and these techniques from applied statistics and computer science are poised to change the fields of computational and theoretical quantum chemistry.
  Photophysics and photochemistry of “non-natural” DNA building blocks
  Dr C E Dessent
Applications accepted all year round
Over the last decade, a number of alternative nucleobase units have been developed that have allowed expansion of the genetic alphabet.1 For some of these…
  Computational Modelling of Transition Metal-Main Group (TM-MG) Heterobimetallic Complexes for Small Molecule Activation and Catalysis
  Prof S A Macgregor
Application Deadline: 8 February 2019
Longer Project description (optional). This project will use computational chemistry to explore the potential of novel heterobimetallic Transition Metal-Main Group (TM-MG) systems in catalysis.
  Using photoelectron spectroscopy and cyclic voltammetry to explore the redox properties of organic molecules in aqueous solution
  Prof H Fielding
Application Deadline: 31 January 2019
A fully funded (36 month) PhD studentship is available in UCL Chemistry to work on an interdisciplinary project in the groups of Professors Helen Fielding, Katherine Holt and Graham Worth involving liquid microjet photoelectron spectroscopy, cyclic voltammetry and quantum chemistry calculations.
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