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computational chemistry PhD Projects, Programs & Scholarships

We have 134 computational chemistry PhD Projects, Programs & Scholarships

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  Decision making through artificial chemical intelligence
  Dr J Slattery, Prof I J S Fairlamb
Applications accepted all year round

Funding Type

PhD Type

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.
  Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes
  Dr B Morgan
Application Deadline: 24 November 2019

Funding Type

PhD Type

A fully-funded 4-year PhD studentship in theoretical / computational chemistry is available in the Department of Chemistry at the University of Bath.
  Machine learning in quantum chemistry - using machine learning to improve the results of quantum chemical calculations
  Dr JG Hill
Applications accepted all year round

Funding Type

PhD Type

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

Funding Type

PhD Type

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…
  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  Dr R A Bryce, Dr N Burton
Applications accepted all year round

Funding Type

PhD Type

In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.
  Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents
  Research Group: Institute of Cancer Therapeutics
  Dr R Falconer, Dr S Shnyder
Applications accepted all year round

Funding Type

PhD Type

Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases (polySTs).
  13 ESR positions available within the HORIZON 2020 - Marie Sklodowska-Curie ITN-European Joint Doctorate TubInTrain: PhD programme in Chemistry and Biology of Neurodegeneration

Funding Type

PhD Type

The Horizon 2020 MSCA joint doctoral project TubInTrain (“Tuning Tubulin Dynamics and Interactions to Face Neurotoxicity.
  Multiphase modelling of atmospheric chemistry
  Prof M Evans, Prof L J Carpenter
Application Deadline: 6 January 2020

Funding Type

PhD Type

This project will explore a new representation of multiphase atmospheric chemistry in a state-of-the-art chemical transport model, thus improving our ability to predict climate change and air quality.
  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.
  PhD position in Computational Sciences
  Prof C Alexandrou
Applications accepted all year round

Funding Type

PhD Type

PhD, with possibility of financial aiding at The Cyprus Institute (CyI). Supervisors. Prof. C. Alexandrou (CyI) [email protected]
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