Prof. Dr. Alessio Gagliardi

Assistant Professor

PhD in Physics



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
• Many-body corrections (GW, TDDFT) to simulate transport in quantum systems
• Photovoltaic devices (Dye Solar cells, polymeric cells, small molecule cells)
• Organic memories (resistive bistable memories)
• Connection between information theory and statistical mechanics
• Smart grids


(All Publications)

– Lykkebo J, Gagliardi A, Pecchia A, Solomon GC: “Strong Overtones Modes in Inelastic Electron Tunneling Spectroscopy with Cross-Conjugated Molecules: a Prediction from Theory”. ACS Nano. 2013; 7(10): 9183-9194.

– Gagliardi A, Gentilini D, Di Carlo A: “Charge transport in Solid-state Dye-Sensitized Solar cells”. The Journal of Physical Chemistry C. 2012; 116(45): 23882-23889.

– Gagliardi A, Auf der Maur M, Gentilini D, Di Carlo A: “Modeling of Dye sensitized solar cells using a finite element method”. Journal of Computational Electronics. 2009; 8: 398-409.

– Schulze G, Franke KJ, Gagliardi A, Romano G, Lin C, Da Rosa A, Niehaus TA, Frauenheim Th, Di Carlo A, Pecchia A, Pascual JI: “Resonant Electron Heating and Molecular Phonon Cooling in Single C60 Junctions”. Physical Review Letter. 2008; 100: 136801.

– Gagliardi A, Solomon GC, Pecchia A, Frauenheim Th, Di Carlo A, Hush NS, Reimers JR: “A Priori Method for Propensity Rules for Inelastic Electron Tunneling Spectroscopy of Single-Molecule Conduction”. Physical Review B. 2007; 75: 174306.


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