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
On the 15th – 18th July Katie Emery, Greg Anderson and Florimond Cumine attended the 7th Pacific Symposium for Radical Chemistry, which was hosted at the Nanyang Technological University, Singapore. The conference is one of the three major international meetings for radical chemistry. The conference displayed all aspects of radical chemistry, hosting 44 speakers over […]
On the evening of July 8th 2015 Tuttle Lab operatives gathered at Thairiffic to fuel up for the busy night of operations ahead. At approx. 1930hrs operatives of the Tuttle Lab Team Very Dark Blue and Team Red approached their battleground in Cambuslang. That is of course with the exception of Tuttle Lab leader Tell […]
At the end of June, Gary visited Portugal to represent the group as an invited young researcher at the 4th annual Polaris Conference in Portugal. A conference set up to display the advances in biomaterials for regenerative medicine. Gary presented his new emulsion forming technology, which is able to display various applications, including in the […]
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 […]