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Iain Best

PhD Title: Uncertainty in phase diagram simulations with interatomic potentials

PhD Supervisor: James Kermode

About Me: I studied Theoretical Physics (MPhys) at Swansea University, graduating in 2019 and being awarded a Prize for Outstanding Performance. My PhD project aims to quantify the uncertainty of measurements from atomistic simulations utilising interatomic potentials - essentially how to feed through uncertainty in a model's parameterisation to real world results.

Initially the interest will be restricted to both simple output quantities (bulk moduli, point defect energies,...) and simple fixed form potentials (e.g. Morse, Stillinger-Weber) for simple systems, but with scope to expand to more exciting properties - like determining phase diagrams of a material - and more complicated potentials, e.g. Machine Learning Interatomic Potentials (MLIPs).

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