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

Well Done Mark!

Congratulations to Mark Allison after successfully defending his thesis titled “An Experimental and Computational Investigation of Transition Metal-Free Reactions”, after examination by John Christopher Walton (St. Andrews) and David Nelson (Strathclyde) on the 28th August. Mark was a joint student between the group of John Murphy and the Tuttle Lab, applying DFT calculations to study […]

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Welcome to our new group members!

We would like to welcome our new group members to the Tuttle Lab! Travis Hesketh joins us as a PhD student fresh from completing his BSc at Strathclyde, well done! Our 4 new Final Year MChem project students this year are Cameron, Hannah, Jack and Rachael; they also take up the important task of social […]

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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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