Nikolaos Lempesis

Mar 10, 2025


Assistant Professor (male)
Building-office: X3-406d
Physical Chemistry
Chemistry
University of Ioannina
Department of Chemistry - University campus - Ioannina 45110
 e-mail: nlempesis@uoi.gr
 Tel: +302651008447
 Fax: -



https://www.linkedin.com/in/nikolaos-lempesis-36241a68/
Theoretical Physical Chemistry - Computational Chemistry

Dr Lempesis is currently an Assistant Professor on tenure track at the University of Ioannina, a member of the Physical Chemistry Sector of the Department of Chemistry. His area of expertise is "Theoretical Physical Chemistry". His research lies at the intersection of Chemical Engineering, Computational Chemistry and Materials Science and focuses on the development and application of multiscale simulation methods for improving understanding of the structure-property relations of matter. Ultimately, the latter drive the design and development of novel new-generation materials with immense practical applications in the energy and environmental sectors and in improving overall life quality.




Curriculum vitae

POSITIONS

  • 2025- present: Assistant Professor on tenure track, Department of Chemistry, University of Ioannina, Ioannina Greece
  • 2021-2024: Postdoctoral researcher at Swiss Federal Technology Institute of Lausanne (EPFL), Lausanne Switzerland
  • 2018-2021: Postdoctoral researcher at Haute école d’ingénierie et d’architecture de Fribourg (HEIA-FR), Fribourg Switzerland
  • 2017-2018: Postdoctoral researcher at Swiss Federal Technology Institute of Zurich (ETH), Zurich Switzerland
  • 2013-2016: Postdoctoral researcher at Massachusetts Institute of Technology (MIT), Boston USA

EDUCATION

  • 2013: PhD, Department of Chemical Engineering, National Technical University of Athens (NTUA), Athens Greece
  • 2007: BSc, Department of Chemical Engineering, Technische Universität München (TUM), Munich Germany (grade 1.9)
  • 2007: BSc and integrated MSc, Department of Chemical Engineering, National Technical University of Athens (NTUA), Athens Greece (grade 9.2/10)

SELECTED PUBLICATIONS

  • Park, S.M., Wei, M., Lempesis, N. et al. Low-loss contacts on textured substrates for inverted perovskite solar cells. Nature 624, 289–294 (2023)
  • Liu, Z., Lin, R., Wei, M. et al. All-perovskite tandem solar cells achieving >29% efficiency with improved (100) orientation in wide-bandgap perovskites. Nature Materials 24, 252–259 (2025)
  • Likai Zheng et al. Strain-induced rubidium incorporation into wide-bandgap perovskites reduces photovoltage loss. Science 388, 88-95 (2025).
  • Essa A Alharbi, Anurag Krishna, Nikolaos Lempesis et al. Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles. Joule 7(1), 183 – 200 (2023)
  • L. Li, M. Wei, V. Carnevali, H. Zeng, M. Zeng, R. Liu, N. Lempesis, F. T. Eickemeyer, L. Luo, L. Agosta, M. Dankl, S. M. Zakeeruddin, U. Roethlisberger, M. Grätzel, Y. Rong, X. Li, Buried-Interface Engineering Enables Efficient and 1960-Hour ISOS-L-2I Stable Inverted Perovskite Solar Cells. Adv. Mater. 36, 2303869, (2024)
  • Nikolaos Lempesis, Pieter J in ‘t Veld, Gregory C Rutledge, Atomistic simulation of a thermoplastic polyurethane and micromechanical modeling, Macromolecules, 50(18), 7399-7409, (2017)

Google scholar

LANGUAGES

  • Greek (native)
  • English (C2)
  • German (C1)
  • French (Β1)

 




NOTES

Various BSc and MSc research opportunities in Computational Chemistry are currently available within the group.
Interested parties are kindly requested to contact directly the principal investigator at: nlempesis@uoi.gr  

Interaction of a water droplet (red) with a perovskite surface protected by an already absorbed organic monolayer (more details here)

You will learn:

  • how to use, develop and extend current multiscale simulation software packages
  • Atomistic/molecular simulation techniques
  • computer programming/coding 
  • results evaluation and presentation
  • usage of Linux/Unix-based operating systems
  • High-Performance Computing (HPC)
  • visualization and quantification of molecular interactions
  • Statistical Mechanics
  • Molecular Dynamics (classical and ab-initio)
  • Stochastic simulation methods
  • Fusion and interconnection of experimentation and simulation
  • Software development
  • Scientific writing