Curriculum Vitae


  • Senior researcher,
    Theoretical and Physical Chemistry Institute,
    National Hellenic Research Foundation


  • Ph.D. in Physics, Physics Department, University of Crete (1997)
  • Master’s in Condensed Matter Physics, Physics Dept., University of Crete (1993)
  • Diploma in Physics, Physics Department, University of Crete (1990)


  Senior Researcher (B), TCPI/NHRF
  Visiting Researcher, Max Planck Institut für Mikrostrukturphysik,
  Halle, Germany (on sabbatical)
  Associate Researcher (C), TCPI/NHRF
  Postdoctoral Researcher, Fachbereich Physik,
  Freie Universität, Berlin, Germany
  Postdoctoral Researcher, Institut für Theoretische Physik,
  Universität Würzburg, Germany
  Postdoctoral Researcher, H. H. Wills Physics Laboratory,
  University of Bristol, United Kingdom


  • Theoretical Materials Science, Electronic Structure
  • Density Functional Theory, Density Matrix Functional Theory
  • DFT for Superconductors
  • Structural, Mechanical, Electronic and magnetic properties of finite and periodic systems
  • Time-Dependent – DFT, optical spectrum of molecular systems
  • Structural, elastic and electronic properties of 2D materials


  • GATES, “nanoporous GrAphene membrane made without TransfEr for gas Separation”, graphene FLAG-ERA (recommended for funding), PI for the NHRF node (2018-2020).
  • NSRF 2014-2020, “Advanced Materials and Devices”, Coordinator of the theory research subproject (2017-2020).
  • “National Infrastructure in Nanotechnology, Advanced Materials and Micro- Nanoelectronics”, Member of NHRF research group (2017-2020).
  • Cost Action MP1306 (EUSpec): “Modern Tools for Spectroscopy on Advanced Materials”, Member of the Management Committee (2015-2018).
  • Enabling Excellence, European Training Network (ETN): “Graphene-based nanomaterials for touchscreen technologies”, Member of NHRF team (2015-2019).
  • GSRT-Kripis: “Novel Multifunctional Nanostructured Materials and Devices”, POLYNANO – 447963, Coordinator of the theory research subproject (2012-2015).
  • Thales, GRAPHENECOMP, member of the research team, 1-2-2012/31-8-2015
  • Deutsche Forschungsgemeinschaft, SPP-1145 (2003-2005) and (2005-2007)
  • TMR-Network, Post-doctoral Fellow (1997-2000) and (2000-2003)



  1. “Atomistic potential for graphene and other sp2 carbon systems”, Z. G. Fthenakis, G. Kalosakas, G. D. Chatzidakis, C. Galiotis, K. Papagelis, and N. N. Lathiotakis,  Chem. Chem. Phys. 19, 30925 (2017).
  2. “Structural prediction of two-dimensional materials under strain”, P. Borlido, C. Steigemann, N. N. Lathiotakis, M. A. L. Marques and S. Botti, 2D Materials 4, 045009 (2017).
  3. “Towards a formal definition of static and dynamic electronic correlations”, C. L. Benavides-Riveros, N. N. Lathiotakis, M. A. L. Marques, Chem. Chem. Phys. 19, 12655 (2017).
  4. “Electron transfer through organic molecular wires: A theoretical study”, N. N. Lathiotakis, G. Theodorakopoulos, I. D. Petsalakis, Phys. Lett. 667, 45 (2017).
  5. “Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory”, I. Theophilou, N. N. Lathiotakis, N. Helbig, Chem. Theory Comput. 12, 2668 (2016).
  6. “Graphene allotropes under extreme uniaxial strain: an ab initio theoretical study”, Z. G. Fthenakis, N. N. Lathiotakis, Chem. Chem. Phys. 17, 16418 (2015).
  7. “Spectrum for Nonmagnetic Mott Insulators from Power Functional within Reduced Density Matrix Functional Theory”, Y. Shinohara, S. Sharma, S. Shallcross, N. N. Lathiotakis, E. K. U. Gross, Chem. Theory Comput. 11, 4895 (2015).
  8. “Doping-induced metal-insulator phase transition in NiO – a reduced density matrix functional theory perspective”, Y. Shinohara, S. Sharma, J. K. Dewhurst, S. Shallcross, N. N. Lathiotakis, E. K. U. Gross, New J. Phys. 17, 093038 (2015).
  9. “Generalized Pauli constraints in reduced density matrix functional theory”, I. Theophilou, N. N. Lathiotakis, M.A.L. Marques, N. Helbig, Chem. Phys. 142, 154108 (2015).
  10. “Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations”, N. N. Lathiotakis, Helbig, A. Rubio, N. I. Gidopoulos, Phys. Rev. A 90, 032511 (2014).