Research in the TuttleLab is focused on the concept of reducing molecular search spaces. The reduction of molecular search spaces involves the use of computational methodology to inform, focus and drive the direction of molecular research. The group works in close collaboration with experimental colleagues to ensure the results from our design work are able to be directly implemented in a practical laboratory. The process of reducing molecular search spaces involves three phases: (1) rationalising and understanding existing systems; (2) isolating the governing molecular processes; and (3) predicting new systems with enhanced/desirable properties and reactivities. A variety of different methods are used in pursuit of this goal, including ab initio, DFT, semi-empirical, MM, coarse grain and hybrid QM/MM methodologies.

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News From the Lab

We have a PhD Opportunity!

We are currently seeking applications to join the group on a fully-funded PhD project titled ‘Self-Assembly of Biologically Inspired Functional Materials,’ for further information on the project and to submit an application visit: https://www.findaphd.com/search/ProjectDetails.aspx?PJID=98925   We look forward to receiving your application!

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Well Done Marie-Pierre!

Congratulations to Marie-Pierre Dreanic after successfully defending her thesis titled “Computational Modelling of Enzyme Activity to Speed Up Biocatalyst Redesign”, after examination by Adrian Mulholland (Bristol) and David Palmer (Strathclyde) on Friday 1st June. Marie was a joint student between GSK and Strathclyde applying QM/MM calculations to allow the rational design of biocatalysts, by studying […]

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Congratulations Flo

Flo successfully passed his viva on the 22nd of January, defending his thesis titled “Studies on Organic Electron Donors and their Applications in Chemistry” after examination by Christine Willis (Bristol) and Glenn Burley (Strathclyde). Well done Flo all the best for the future!

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