Greater London, England, United Kingdom
Theoretical/computational method development to interpolate many-body wavefunctions across nuclear geometries Reduced order representations including low-rank compression of two-body density matrices Applications for excited states, nonadiabatic molecular dynamics and photochemistry
Developing algorithms & software for near-term quantum computers
Summer 2018: Investigated magnetic properties of alloys (YCo5, YCo4B, FeNi) using KKR-DFT, coherent potential approximation, and disordered local moment methods; mapped phase stability and transition temperatures (supervised by Prof. Julie Staunton) Summer 2017: Modelled quantum electronic transport in 1D systems using non-equilibrium Green’s functions with finite-difference schemes; developed adaptive grid strategies to reduce computational cost (supervised by Prof. Neophytos Neophytou and Prof. Christoph Ortner) Christmas 2016: Synthesised and characterised ferroelectric thin films via pulsed laser deposition; performed AFM, piezoresponse force microscopy, and conductivity measurements; optimized growth parameters (supervised by Prof. Marin Alexe)