Athanasios Koliogiorgos, Ph.D.

Expertise and research interests

• Ab-initio simulations with periodic structures and finite systems.
• Optical and electotronic properties, applications in optoelectronic and elecronic materials
• Simulations of molecules on superconductors, molecular junctions
• 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

• 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 the Advanced Materials Group, Czech Technical University in Prague, Czech Republic.
• Part of Centre for Advanced Photovoltaics Project (centre of excellence).
• 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.

Education

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. Minimal model of inelastic tunneling of vibrating magnetic molecules on superconducting substrates.

   A. Koliogiorgos, R. Korytár, Physical Review B 2024, 110, 235424. (DOI: 10.1103/PhysRevB.110.235424)

2. Face-centered cubic carbon as a fourth basic carbon allotrope with properties of intrinsic semiconductors and ultra-wide bandgap.

   I. Konyashin et al, Communications Materials 2024, 5, 115. (DOI: 10.1038/s43246–024–00547–8)

3. 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)

4. 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)

5. 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)