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
Welcome to Lauren Barrie, Luca Bartek, Sarah Dyer & Victoria Laing who are all undertaking projects within the group over the coming months as part of their undergraduate studies.
As part of a European International Training Network, named SMARTNET, Ivan and Ines meet the other colleagues and supervisors in the network every 6 months. This October, the meeting was held in the TU Delft facilities. All the project leaders (including Dr. Tell Tuttle) met on Monday afternoon and then a great welcoming dinner took place […]
Congratulations are due to Marc Reid who had a very busy and successful summer. Since the start of the year, Marc has been working as a postdoc in the group of Prof. Guy Lloyd-Jones (Edinburgh). However, during July he found the time to sit his PhD viva (passed with flying colours), get married (she said […]
Congratulations to Greg Anderson who was awarded the Hamilton-Barrett Prize from the Department of Chemistry for his first year PhD work on the mechanisms of initiating the HAS cycle with super electron donors. Greg’s work was published in our 2014 Chem. Sci. paper (Paper 55).