AIAS-COFUND Fellow working on the project 'Descriptor-based modelling of the reactivity of interstellar dust grains'. Read more here: https://aias.au.dk/aias-fellows/mie-andersen/VILLUM Young Investigator working on the project 'Machine learning-guided design of materials for low-temperature catalysis'. Read more here: https://veluxfoundations.dk/en/19-new-villum-young-investigators-in-2021Read more about the group here: https://phys.au.dk/research/research-areas/catalytic-structure-activity-relationships-with-machine-learning/

Heterogeneous catalysis, liquid metal catalysis, kinetic Monte Carlo, density functional theory

Scaling-relation-based kinetic Monte Carlo modelling of higher alcohol synthesis

In my PhD project I primarily used density functional theory combined with thermodynamic and kinetic modeling to describe adsorption phenomena on aromatic carbon materials such as graphite, graphene and polycyclic aromatic hydrocarbons. I worked in collaboration with a number of experimental groups, modeling their experiments within scanning tunneling microscopy, X-ray photoemission spectroscopy, temperature programmed desorption etc.

Worked with the Elastic Scattering Quantum Chemistry (ESQC) code for simulating Scanning Tunneling Microscopy (STM) images.

Mentor for 6 high scool students.