Prof. Alessio Gagliardi

Assistant Professor




The research of Professor Gagliardi focuses on nanostructured devices for energy harvesting. A major focus of his research is on simulating third generation photovoltaic devices, such as dye sensitized solar cells and organic photovoltaic cells using drift-diffusion approximation. He has also investigated charge transport in single molecule devices for molecular electronic applications using non equilibrium Green’s functions, with particular interest in dissipation at the nanoscale. He is a developer of the TiberCAD and GDFTB software tools.

After studying engineering in Italy, at the University of Rome Tor Vergata, Professor Gagliardi received his doctorate in physics from the University of Paderborn in 2007 under the supervision of Professor Thomas Frauenheim. He then worked as a postdoctoral researcher at BCCMS (Bremen Center for Computational Material Science). Subsequently (2008) he moved back to Rome where he worked as a postdoctoral researcher in the group of Professor Aldo Di Carlo. In January 2014 he was appointed tenure track assistant professor for simulation of nanosystems for energy conversion at TUM.


  • Molecular electronics, charge transport and dissipation in nanoscale devices (quantum Green functions);
  • kinetic Monte Carlo methods for organic bulk heterojunction solar cells;
  • drift-diffusion simulations;
  • Photovoltaic devices (Dye Solar cells, polymeric cells, perovskite solar cells);
  • Organic semiconductor materials and devices;
  • Connection between information theory and statistical mechanics;

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