PhD scholarship in Computational Nanoelectronics Simulations - DTU Physics

Job description

We offer a PhD position in the field of theoretical nanoelectronics based on predictive first principles calculations. We target modelling and simulation of electron transport in large interfaces between twisted layers of ultra-thin oxide membranes and two-dimensional van der Waals materials. These interfaces give rise to large-scale moiré patterns and reconstructions which may host interesting and tuneable properties depending on twist-angle. You will be part of a larger collaboration combining experiments and theory. Your task is to develop predictive models of the “Quantum Twisting Microscope” experiments, allowing for transport studies through the interface as a function of twisting angle in the interface. We will do this by employing Density Functional Theory (DFT) and Non-equilibrium Greens function (NEGF) combined with Machine Learning (ML) based models to enable predictive calculations of experimentally relevant (large-scale) atomic structures. With this we aim at linking detailed atomistic and quantum descriptions with the measured quantities such as current-voltage characteristics. The ideal candidate has a strong background in theoretical or computational condensed matte...