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

Christmas 2016

This year the Tuttlelab decided to include escape rooms into their Christmas party. They split into two teams and did a room each. Both teams managed to escape (although one much faster than the other). The festivities then moved on to the Butterfly and Pig where the group enjoyed a very enjoyable meal, after this […]

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SMARTNET Paris June 2016

In the beginning of June, Inês went to Paris to attend a conference on soft matter and gels, organised by SMARTNET together with Solvay (see website http://www.smartnet4u.org/2016/06/22/gels-formulations-and-supramolecular-materials/). It was an amazing 2-day conference with talks on self-assembly, gel rheology and multicomponent gel applications, from both invited speakers (Dave Adams, Gareth Lloyd, etc) and also Smartnet […]

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