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PhD Studentship @ UCL Chemical Engineering: Towa ... (No replies)

6 months ago
msalvalaglio 6 months ago

PhD Studentship : Towards a computational approach at finite-temperature polymorph screening
UCL Department / Division: Department of Chemical Engineering
Reports to: Dr. Matteo Salvalaglio
Stipend: circa £16,785 per annum + UK/EU fees
Start date: September 2017

Job Advert

The Department of Chemical Engineering at University College London (UCL) is seeking an enthusiastic Graduate Student to work on developing a computational approach for the finite-temperature screening of polymorphs.
Solid form screening is a critical first step in drug product design. In recent years, improved computational crystal structure prediction (CSP) methods have become an important and increasingly reliable part of the solid form screening process. While CSP methods now frequently identify observed solid forms among the predicted stable forms, CSP also finds many as-yet-unobserved polymorphs among the lowest energy forms. This doctoral project will be focused on the development of a systematic screening approach to refine the solid form landscape from CSP by including temperature effects.
This project will be carried out in close collaboration with UCL Chemistry (Prof. Sally Price Group), UCSB Chemical Engineering and Eli Lilly Company.  The successful candidate is expected to travel and visit collaborators when necessary.

Key Requirements

The candidate will have or is expected to soon obtain an excellent first degree in Chemical Engineering, Chemistry, Physics or an associated discipline. Prior research experience, together with the ability to analyse, develop and solve open-ended research problems is essential. Desirable qualifications include knowledge in crystallization, physical chemistry, molecular simulation techniques, and UNIX-based operative systems.

Further Details

Please note that full funding is available for UK/EU citizens only. 
If you have any queries regarding the vacancy, please contact Dr Matteo Salvalaglio, ([email protected], 


Apply here:!/?project=218


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Ab initio (from electronic structure) calculation of complex processes in materials