• Høegh-Guldbergs Gade 6B

    8000 Aarhus C


  • Ny Munkegade 120, 1520, 332

    8000 Aarhus C


  • Ny Munkegade 120

    8000 Aarhus C



Research activity per year

Personal profile


The aim of Mie Andersen's research is to undertand and tailor catalytic properties of materials – from the atomic scale and up – using computer modelling and simulations. The applications range from metal and oxide surfaces of interest for CO2 conversion to dust grains consisting of silicate or carbon materials in interstellar gas clouds, which catalyze the formation of complex molecules of interest for the origin of life. The description of processes that make or break chemical bonds typically require heavy quantum mechanical calculations. A focus area in Mie Andersen's research in the past years has been to develop and apply machine learning models, which can efficiently predict the results of quantum mechanical calculations based on data for similar systems. These methods are coupled with statistical simulations to determine reaction mechanisms, productivity and selectivity of catalytic materials, which can guide the design and experimental synthesis of materials with optimized catalytic properties.

Job responsibilities

Associate professor in theoretical materials physics with responsibility for teaching and supervision of students and postdocs. Co-PI in Center for Interstellar Catalysis. Member of Institutforum at the Department of Physics and Astronomy.


  • Surface physics
  • Materials science
  • Nanomaterials
  • Modelling
  • Catalysis
  • Astrophysics

Areas of expertise

  • Surface physics
  • Electronic structure theory
  • Machine learning
  • Astrochemistry
  • Heterogeneous catalysis


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