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

TuttleLab hosts the ScotCHEM Computational Chemistry Conference 2015

The ScotCHEM Computational Chemistry conference was hosted within the University of Strathclyde by the TuttleLab in June this year. It was well sponsored by the NSCCS, RSC and University of Strathclyde. Members of the TuttleLab played a big role in organising the conference and ensuring the day ran smoothly, with special thanks going to Katie Emery for […]

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SMARTNET Meeting in York

Ivan and Ines are doing their PhD as part of a European Initial Training Network (Marie Curie Actions) called SMARTNET (Soft Materials Advanced Training NETwork). Within the SMARTNET they collaborate with five academic and two industrial partners from UK, the Netherlands, France and Spain. The aim is to improve the training of early state researchers […]

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2015 Comings and Goings

Congratulations to Emma Matthews who completed an excellent final year project with the group and graduated with an MChem. At the completion of the teaching year we also welcomed four summer students into the group. Jemma Machlachlan and Lisa Cowling join the group after being awarded BP summer internships, while Vincent Montigaud and Fabien Talbot […]

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Gary Hits the States

In February, Gary hit the USA for a 2-month placement in the new Nano science labs within the Advanced Scientific Research Center (ASRC) in New York. As a new state of the art facility, it allows for groundbreaking research in a variety of different fields. Gary was present as a guest of his supervisor Rein […]

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