Athanasios Koliogiorgos, Ph.D.

Department of Condensed Matter Physics
+420 95155 1455
Room / building
F 048, ground floor, Ke Karlovu 5, Ke Karlovu 2026/5, Praha 2

Expertise and research interests

  • Ab-initio simulations on both periodic structures and finite systems.
  • Halide perovskites, optical and electotronic properties, applications in optoelectronic and elecronic materials.
  • Computational materials scientist with background in experimental materials engineering.

Research and teaching experience

October 2022 – today

  • Postdoctoral researcher at Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics.
  • Part of Molecular spintronics: control of spin-orbit fields Project.

October 2021 – September 2022

  • Temporary lecturer at the Department of Materials Science and Engineering, University of Ioannina, Greece.
  • Courses taught: Semiconducting and Dielectric Materials; Materials for Nanostructures and Micromachines; Nanotechnology.

May 2022

  • Visiting lecturer at Zernike Institute of Advanced Materials, University of Groningen, Netherlands. Short course on Ab-initio simulations for semiconductors and nanostructures.

June 2019 – May 2021

  • Postdoctoral researcher at Advanced Materials Group, Czech Technical University in Prague, Czech Republic.
  • Part of Centre for Advanced Photovoltaics Project.
  • Work included study of electronic structure for novel materials for photovoltaics, energy transfer mechanisms between organic molecules and silicon.

February 2016 – February 2019

  • Researcher/Ph.D. candidate at the Department of Materials Science, University of Patras, Greece.
  • Part of Perovskite Materials for Efficient Solar Cells (PERMASOL) Project lead by the Austrian Insitute of Technology (AIT) in Vienna.
  • Work included finding new lead-free alternatives in halide perovskites for implementation in solar cells.


February 2016 – February 2019

  • Ph.D. in computational materials science, Department of Materials Science, University of Patras, Greece.
  • Thesis subject: Ab-initio simulations of the electronic structure of halide and hybrid halide perovskite materials. Scholarship from AIT, Vienna.

November 2014 – January 2016

  • M.Sc. in Optoelectronic and Magnetic Materials, Department of Materials Science and Engineering, University of Ioannina, Greece.
  • M.Sc. thesis subject: Study of magnetic nanodomains with AFM/MFM microscopy.

September 2001 – October 2011

  • Engineering Diploma, Department of Materials Science and Engineering, University of Ioannina, Greece.
  • Diploma thesis subject: Study of grain-boundary magnetoconductance phenomena in LSMO/PdO composites.

November 2021 – October 2022

  • M.Sc. in Accounting in the Modern Management Environment, Department of Business Administration, University of Patras, Greece.

Selected publications

  1. Energy transfer between Si nanocrystals and protoporphyrin molecules as a function of distance, orientation and size.

    A. Koliogiorgos, T. Polcar, B. Rezek, Journal of Computational Chemistry 2023, 44, 1138–1147. (DOI: 10.1002/jcc.27071)

  2. Electronic and Optical Properties of Ultrasmall ABX3 (A = Cs, CH3NH3/B = Ge, Pb, Sn, Ca, Sr/X = Cl, Br, I) Perovskite Quantum Dots.

    A. Koliogiorgos, C. S. Garoufalis, I. Galanakis, S. Baskoutas, ACS Omega 2018, 3(12), 18917–18924. (DOI: 10.1021/acsomega.8b02525)

  3. Electronic and gap properties of lead-free perfect and mixed hybrid halide perovskites: An ab-initio study.

    A. Koliogiorgos, S. Baskoutas, I. Galanakis, Computational Materials Science 2017, 138, 92–98. (DOI: 10.1016/j.commatsci.2017.06.026)


Charles University, Faculty of Mathematics and Physics
Ke Karlovu 3, 121 16 Praha 2, Czech Republic
VAT ID: CZ00216208

HR Award at Charles University

4EU+ Alliance