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
Gary’s work on the discovery of a new class of tripeptide emulsifiers is featured on the front cover of Advanced Materials and has received write-ups in several online science sites. The work has been done in collaboration with the Ulijn group and Macphie of Glenbervie (a food ingredients company). Text Below from ScienceDaily: […]
In an intense six week period leading up to Christmas, 2015, Ivan wrote, revised and completed his PhD thesis. This work was the culmination of just under 3 years of study within the field of experimental and computational approaches to understanding the nanostructure of Fmoc-based dipeptide systems. Ivan’s work considered the fundamental questions of whether gels […]
The Tuttle Lab decided it would be a good idea to have a day of festivities to celebrate all their hard work and effort throughout the year. The day started off around midday where we played intense games of beer pong as doubles and singles along with some drinks. We had a table at Viva […]
Thirteen members of the Tuttle lab battled it out over five weeks to find out who would be crowned the Great Tuttle Bake Off Champion. Three, two, one …Bake! In round one Sarah Dyer was made star baker with her take on the classic Malteser tray bake. Other entries on the day were a chilli […]