معرفی
Claire McMullin is a Senior Lecturer in the Department of Chemistry at the University of Bath, where she leads a computational chemistry research group. She is actively accepting doctoral students and maintains collaborations with experimental chemists both at the University of Bath and internationally.
Her primary research interests focus on inorganic and organometallic reaction systems investigated through computational methods, particularly Density Functional Theory (DFT). Her group explores interesting structural and energetic features by modeling mechanistic pathways and analyzing electronic structure details using NBO (Natural Bond Orbital) and QTAIM (Quantum Theory of Atoms In Molecules) approaches. Key research areas include Main Group Complexes, Metal Assisted C-H Activation, Cross-Coupling with Late Transition Metal Complexes, and Group 1 Redox Systems. Her group is also working to improve computational methodologies for better describing solids (metals, salts) and ions in solvated reaction systems.
Her recent publications demonstrate strong focus on aluminum chemistry, alkaline earth metals, and computational modeling of reaction mechanisms, with several high-impact publications in leading chemistry journals including Journal of the American Chemical Society and Chemical Science.
Dr. McMullin currently leads multiple research projects funded by the Engineering and Physical Sciences Research Council and the Royal Society of Chemistry, including 'Molecular s-block Assemblies for Redox-active Bond Activation and Catalysis' and 'Improving Computational Models for Anions in Solution'.
She earned her PhD in Chemistry from the University of Bristol (2007-2011), followed by postdoctoral positions at the University of North Texas (2011-2012) and Heriot-Watt University (2012-2015) before joining the University of Bath faculty.
