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computational chemistry PhD Projects, Programs & Scholarships

We have 157 computational chemistry PhD Projects, Programs & Scholarships

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  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.
  Discovery of new transparent conducting materials
  Prof M J Rosseinsky
Application Deadline: 31 July 2019
An opportunity for a 3.5 year PhD position supported by NSG Group towards the discovery of new transparent conducting materials. This project aims to develop new transparent conducting materials for optoelectronic applications on glass.
  PhD in Computational Organic Chemistry - Nucleophilic Asymmetric Catalysis from the Theoretical Perspective
  Dr C Trujillo
Application Deadline: 31 May 2019
Overview. A fully SFI-funded PhD studentship is available in the School of Chemistry, Trinity College of Dublin within Dr. Cristina Trujillo research group.
  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…
  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
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.
  Molecular Property Prediction using Artificial Intelligence and Chemical Calculations
  Dr D Palmer, Dr J McDonagh
Application Deadline: 5 April 2019
A fully funded, four-year EPSRC iCASE PhD Studentship supported by IBM Research UK is available in the Department of Pure and Applied Chemistry at the University of Strathclyde under the supervision of Dr David Palmer (Strathclyde) and Dr James McDonagh (IBM).
  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
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).
  High Power Renewable Energy Nano Catalysis – Fundamental and Applied Electrochemistry
  Prof A Schechter
Applications accepted all year round
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.
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