I am a Staff Researcher (Senior Researcher) at Tyndall National Institute, University College Cork, Ireland, currently on secondment with the group of Prof. Chris Van de Walle at the University of California, Santa Barbara, U.S.A. as a European Union Marie Skłodowska-Curie Global Fellow. I was a Postdoctoral Researcher at Tyndall prior to my promotion to Staff Researcher in 2021 and, prior to that, I was a Postdoctoral Research Associate at the University of Bristol, U.K. I hold B.Sc. (Hons) and Ph.D. degrees in physics from University College Cork. My interests lie in materials theory in simulation, focusing on (i) developing fundamental theoretical understanding of the electronic and optical properties of novel and emerging semiconductor material systems, and (ii) developing models and software to enable multi-scale simulations of semiconductor materials and devices, building key insights obtained from atomistic electronic structure calculations into atomistic and continuum empirical models suitable to quantitatively predict technologically relevant properties in semiconductor materials and nanostructures. My experience ranges from performing first principles calculations and analysis of fundamental material properties, through the derivation and parametrisation of empirical models for multi-scale simulations, as well as software implementations of these models (including enabling interoperability between proprietary, open-source and self-developed software packages).