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
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 […]
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 […]
It was a great privilege for Tell to be invited to chair a session at the International Symposium on Theoretical and Computational Chemistry that was held in honour of Walter Thiel’s 60th Birthday. The meeting was held at the Max-Planck-Institut für Kohlenforschung, were Tell undertook his Postdoctoral studies with Walter. The symposium focussed on molecular quantum chemistry and covered […]
The latest work from the lab on the electronic structure of iron corroles has been nominated as a “Very Important Paper” (VIP) by Chemistry – A European Journal. We’re proud of all of our projects and think they’re all worth while – but it’s nice to know that others agree sometimes as well. To read about the […]