The Macgregor Group
Stuart did his BSc (1988) and PhD (1992) at the University of Edinburgh, working with Lesley Yellowlees and Alan Welch on the structural and electrochemical properties of metallaboranes. He won a NATO Western European Fellowship to work with Odile Eisenstein at the Université de Paris-Sud in Orsay (1992-1994), where he first encountered density functional theory. After two years as a post-doc at the Australian National University he returned to Edinburgh in 1997 to take up a lectureship at Heriot-Watt University. He was promoted to Reader in 2006 and full Professor in 2009 and served as Head of the Institute of Chemical Sciences from 2010 to 2015.
Stuart's research uses computational methods to model the structure and reactivity of transition metal systems in both solution and the solid state. He works in close collaboration with experimentalists and targets applications in catalysis. In 2019 he received the Royal Society of Chemistry's Ludwig Mond Award for his work exploring novel mechanisms of C–H and C–F activation and the organometallic chemistry of σ-alkane complexes in the solid state. Stuart was elected a Fellow of the Royal Society of Edinburgh in 2020
Lia's research focuses on modelling organometallic reactivity and analysing the electronic structure and bonding of heterobimetallic complexes. This work is in collaboration with Prof. Mike Whittlesey of Bath University and funded by EPSRC.
Arif Sajjad's research focuses on computational modelling of sigma-alkane complexes in experimental collaboration with Prof Andy Weller at the University of York. His previous research includes DFT modelling of weak interactions in organometallic complexes.
Carlos' research concerns the modelling of C–H activation using transition metals, with particular focus on the impact of dispersion effects for modulating the reactivity. He is working in collaboration with the group of Igor Larrosa at the University of Manchester.
Ambre's research interest focusses on the computational mechanistic study of C-H activation using transition metals. She is working in collaboration with the group of Igor Larrosa at the University of Manchester.
Paddy's research concerns modelling masked phosphenium catalysts with DFT. This project is in collaboration with the Ruth Webster group at the University of Bath with the studentship funded by the school of engineering and physical sciences.
Marius is a final year student on the MChem in Chemistry degree and is currently doing his final year project studying the electronic structure and reactivity of heterobimetallic complexes.
Daniel is doing his final year MChem project on modelling rhodium σ-alkane complexes and their use in heterogeneous catalysis with DFT.
Heriot-Watt University, Institute of Chemical Sciences, Edinburgh, Scotland, UK EH14 4AS