PhD: Towards A Computational Approach At Finite-Temperature Polymorph Screening

University College London - 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, if 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

The closing date for this position is 22nd December, or as soon as an appropriate candidate is found.   
To apply for this position, please visit the UCL Prism portal:!/?project=218

Please note that full funding is available for UK/EU citizens only. Further details about the studentship are available at the bottom of this page.
If you have any queries regarding the vacancy, please contact Dr Matteo Salvalaglio, (

Share this PhD
  Share by Email   Print this job   More sharing options
We value your feedback on the quality of our adverts. If you have a comment to make about the overall quality of this advert, or its categorisation then please send us your feedback
Advert information

Type / Role: