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Institute for Materials Research

Structure and property modelling

Structure and Propery Modelling

The structure and property modelling group is led by Dr Andrew Scott. Ab-initio modelling, combining accurate density functional theory methods and high performance parallel computing is used to understand and predict the structure, properties and bonding within materials. Our research covers a range of materials including graphene, hexagonal boron nitride, metal oxides, alloys, graphite, organic crystals and RNA. We work closely with the electron microscopy community, especially the UK SuperSTEM Facility. We have an established international reputation in the area of electron energy loss spectroscopy (EELS) modelling.

Academic Staff
Dr Andrew Scott
Dr Che Seabourne
Prof. Rik Brydson

Post-graduate Researchers
Trevor Hardcastle (Nov. 2010-)
Joe Hooper (Oct. 2013-)
Nathaniel Gjoderum-Symons (Oct. 2013-)

Key Collaborations
School of Materials, University of Manchester
School of Physics and Astronomy, University of Manchester
UK SuperSTEM, Daresbury Laboratory
Department of Materials Science and Engineering, University of Sheffield
Department of Chemistry, University of Surrey
Department of Materials, University of Oxford
The Hartree Centre, Daresbury Laboratory
Earth and Planetary Sciences, Johns Hopkins University, USA
Department of Physics, University of Oslo, Norway
EMPA, Swiss Federal Laboratories for Materials Science and Technology, Switzerland
National Nuclear Laboratory, Risley, Warrington