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.

News From the Lab

Work on Organic Photovoltaics chosen as Inside Cover for Angewandte

Our latest work in collaboration with the Skabara group has been chosen as a frontispiece for the communications section in Angewandte Chemie International Edition. Read more about this work by following this link. X marks the spot! A fascinating packing motif is observed in a novel cruciform oligothiophene containing a Ge (violet; see picture) spiro center. […]

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Welcome Daniel Cannon

Welcome to our new PhD student Daniel Cannon, who joins the group under the joint supervision of Professor Rein Ulijn. Dan’s work will involve the application of computational methods to support a number of experimental projects currently running within the Ulijn group. Dan completed his undergrad research project with the group and then spent some […]

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Marc Reid awarded Carnegie Scholarship

Marc Reid, 23, from Rutherglen, will be collecting his Honours MSci Chemistry degree from the University this Thursday, 14 July, and will then be preparing to start a postgraduate programme, supported by a scholarship from the Carnegie Trust. Marc, who was a pupil at St Bride’s High School, East Kilbride before joining Strathclyde, will have […]

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Work on Molecular Interactions Graces the Cover of Chemical Science

Our latest work on the importance of CH-π interactions in governing the supramolecular structures that are formed by carbohydrate amphiphiles has been selected as the cover issue for Chemical Science. The cover plays on the arrangement of the C–H bonds to the π systems and spells out the interactions in jelly (the carbohydrate amphiphiles self-assemble into a […]

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