Andrew
Duff
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​​​​​​​​​I am a computational material Scientist, with expertise in the modelling of materials at high temperatures, and in the development of models (‘interatomic potentials’) to simulate realistic, large-scale processes within materials. I am developer of the MEAMfit software package ( https://www.scd.stfc.ac.uk/Pages/MEAMfit-v2.aspx ) ​​​​for optimizing LAMMPS-usable modified embedded atom method (MEAM) potentials, and developed the TU-TILD approach — with Mike Finnis at Imperial College and Blazej Grabowski at the Max Planck Institute for Iron Research —​ for computing accurate thermodynamic properties of refractory alloys up to the melting point. Through these methodologies I collaborate with academia and industry to accelerate development of materials to address 21st century challenges: Gen IV and fusion nuclear reactors, reduced-emission jet engines, space exploration, to name but a few.