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Molecular Property Prediction using Artificial Intelligence and Chemical Calculations

Project Description

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).

Applicants must have, or expect to obtain, a strong Masters (or equivalent) degree in Chemistry or a related subject. Previous experience in computational chemistry, cheminformatics or artificial intelligence would be an advantage, but is not essential.

Research in the Palmer Group at the University of Strathclyde focuses on development of theory, simulation and informatics methods to study complex biomolecular systems (

This PhD project will develop novel methods for molecular property prediction by applying cutting-edge artificial intelligence (AI) algorithms to chemical simulation data. It is supported by IBM Research UK, who bring world-leading expertise in the development of computational chemistry software and AI (

The studentship is available to start from October 2019. The successful candidate will be based at the University of Strathclyde, but will spend at least three months working with IBM research at the Hartree Centre in Daresbury UK.

Please submit your application by e-mail to Dr David Palmer () and Dr James McDonagh () which should include:

• Cover letter, detailing your experience and motivation for PhD studies
• CV with two referees details included
• Full transcripts from your undergraduate degree
• Other pertinent information (e.g., publications, awards, and other distinctions)

Funding Notes

Full awards (tuition fees plus stipend) are available to UK Nationals and EU students who meet UK residency requirements. To be eligible for the full award, EU Nationals must have been in the UK for at least three years prior to the start of the course including for full-time education.

A small number of awards may also be made available to EU Nationals who do not meet the above residency requirement, provided they have been ordinarily resident in the EU for at least three years before the start of their proposed programme of study.

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