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Research areas

We develop first-principles methods for the description of ground- and excited state properties of materials and use them to model and design materials for application within sustainable energy (photo-catalysis and photovoltaics) and nano (opto)-electronics. 

We have activities within the following areas:

  • Computational materials discovery including Big-Data driven approaches (machine learning, materials databases, etc.)
  • Novel 2D materials and van der Waals heterostructures
  • Description of quasiparticles in the solid state (plasmons, excitons, …) 
  • Many-body methods (RPA and beyond) for high-accuracy total energy calculations
  • Charge transport and -transfer at metal/molecule interfaces, e.g. molecular electronic devices 
  • Energy materials including materials for (photo-)catalysis and photovoltaics


Education/Academic qualification

PhD, Technical University of Denmark


Physics engineer, Technical University of Denmark


External positions

Professor, DTU

2013 → …

Associate professor, DTU


Assistant professor, DTU


Post doc, Freie Universität Berlin



  • User defined:
  • 2D materials
  • Energy materials
  • Computational materials design
  • Density Functional Theory
  • Green's function theory


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