Professor Alessio Gagliardi was appointed Assistant Professor within his Tenure Track, and Head of the group Simulation of Nanosystems for Energy Conversion (SNE) at the Technische Universität München (TUM), in January 2014.
He started his research at TUM in 2014, together with his first PhD students Ahmed Mahmoud and Tim Albes.
Since September 2019 SNE consists of 8 PhD students and 1 PostDoc.
After successful assessment of his Tenure Track as Assistant Professor, Professor Alessio Gagliardi was appointed Associate Professor in January 2020.

CV Prof. Alessio Gagliardi

The main Research Topics and Projects of SNE are

Current Research Topics
  • Simulation of Organic Semiconductor Devices
  • Atomistic Quantum Transport Simulations
  • Non-equilibrium Thermodynamics
Method Development
  • Drift-diffusion models
  • Kinetic Monte Carlo
  • Non equilibrium Green functions 
  • Multiscale methods for charge / heat transport for nano-meso scale devices
Past & Current Research Projects 
IGGSE Project 11.02 CONTROL (Current)
  • Controlled prOcessing and Numerical models for the understanding of charge Transport & Recombination in Organic eLectronics (CONTROL)
DFG Project no. 355784621 (Current)
  • Optimization of electrocatalysts for fuel cell applications without alloying: a joint theoretical and experimental study
EU Project LION-HEARTED (Current)
  • Light and Organic Nanotechnology for Cardiovascular Disease
DFG Project FFLexCom (Past)
  • FFLexCom High Frequency Flexible Bendable Electronics for Wireless Communication Systems
EU Project EUREKA COST (Past)
  • COST Action Multiscale in Modeling and Validation for Solar Photovoltaics (MultiscaleSolar)

Since 2014 the group published a great number of publications, which you'll find here

  • 50  journal papers in renowned scientific journals
  •  3  books/book chapters
  • 39  conference publications at international scientific conferences, seminars and workshops
The 10 most important journal papers of which are
  1. B Garlyyev, K Kratzl, M Rück, J Michalička, J Fichtner, J M. Macak, T Kratky, S Günther, M Cokoja, A Bandarenka, A Gagliardi, R. A. Fischer; How small: selecting the optimal size of Pt nanoparticles for enhanced oxygen electro-reduction mass activity, Angewandte Chemie, 58, 9596-9600 (2019). mehr… BibTeX Volltext ( DOI )

  2. W Kaiser, A Gagliardi; Kinetic Monte Carlo Study of the Role of the Energetic Disorder on the Open-Circuit Voltage in Polymer/Fullerene Solar Cells, Journal of physical chemistry letters, 10 (20), 6097-61041 (2019). mehr… BibTeX Volltext ( DOI )

  3. J Lederer, W Kaiser, A Mattoni, A Gagliardi, Machine Learning–Based Charge Transport Computation for PentaceneAdv. Theory Simul., 180013  (2018). mehr… BibTeX Volltext ( DOI )

  4. M Rück, A Bandarenka, F Calle-Vallejo, A Gagliardi, Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts, The journal of physical chemistry letters, 9 (15), 4463-4468 (2018) mehr… BibTeX Volltext ( DOI )

  5. Gagliardi A.; Abate A.; Mesoporous Electron Selective Contacts Enhance the Tolerance to Interfacial Ions Accumulation in Perovskite Solar CellsACS Energy Letters 12 1-20 (2017). [more…] [BibTeX] [Full text ( DOI )]

  6. Albes T.; Gagliardi, A.;  Charge Pair Separation Dynamics in Organic Bulk‐Heterojunction Solar CellsAdvanced Theory and Simulations 1800032 (2018). mehr… BibTeX Volltext ( DOI )

  7. Gagliardi A.; Auf der Maur M.; Gentilini D.; Di Fonzo F.; Abrusci A.; Snaith H.J.; Divitini G.; Ducati C.; Di Carlo A.; The real TiO2/HTM interface of solid-state dye solar cells: role of trapped states from a multiscale modelling perspective Nanoscale; Nanoscale 7 1136 (2015).  mehr… BibTeX Volltext ( DOI )

  8. Schulze G.; Franke K. J.; Gagliardi A.; Romano G.; Lin C.S.; Rosa A.L.; Niehaus T. A.; Frauenheim Th.; Di Carlo A.; Pecchia A.; Pascual J.I.; Resonant Electron Heating and Molecular Phonon Cooling in Single C60 Junctions; Physical Review Letter 100 136801 (2008). [more…] [BibTeX] [Full text ( DOI )]
  9. Gagliardi A.; Solomon G. C.; Pecchia A.; Frauenheim Th.; Di Carlo A.; Hush N. S.; Reimers J. R.; A Priori Method for Propensity Rules for Inelastic Electron Tunneling Spectroscopy of Single-Molecule Conduction; Physical Review B 75 174306 (2007). [more…] [BibTeX] [Full text ( DOI )]
  10. Solomon G. C.; Gagliardi A.; Pecchia A.; Frauenheim Th.; Di Carlo A.; Reimers J. R.; Hush N. S.; Understanding the Inelastic Electron-Tunneling Spectra of Alkanedithiols on Gold; Journal of Chemical Physics 124 094704 (2006). [more…] [BibTeX] [Full text ( DOI )]