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
The Tuttlelab welcome Thomasz Piskorz who is currently spending 3 months of his PhD within the group away from his home university in Delft. We also welcome Kirsty Anderson who will be carrying out a placement in the group over the summer.
Congratulations to our final year project students who have now completed their work and graduated with their degrees. A special mention to Luca who won the J L S Allan Memorial Award for submitting one of the best project theses in the department. We wish all our final years the best of luck for the […]
From the 28th March till the 1st April, Ines attended the 2016 MRS Spring Meeting. This is a conference that needs no introduction, and it was held for the first time in Phoenix, Arizona. She gave an oral talk entitled “Enzymatically Activated Emulsions Stabilized by Interfacial Self-Assembled Structures” as part of the SM5 seminar “Surfaces […]
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: […]