Maroulis George

Maroulis G.
Maroulis G.


Tel: (+302610) 962965

Fax: (+302610) 997118


Web Page:

List of Publications:

Contact hours: Friday 09:30-13:30

Curriculum Vitae

Diploma in Chemistry (1976), University of Athens.
Doctorat en Sciences Chimiques (Chimie Quantique) (1981), Universite Catholique de Louvain.

Scientific awards
1982: Awarded the Prix Pierre Bruylants (1886-1950).
2004: Prize of the European Society of Computational Methods in Sciences and
Engineering (ESCMSE) for outstanding work on Computational and Theoretical

Computing Letters (CoLe)
Section C. Computational Biology and Medicine
Section D. Computational Chemistry and Physics

Journal of Computational Methods in Science and Engineering (JCMSE)
Section C. Computational Biology and Medicine
Section D. Computational Chemistry and Physics

Co-Chairman of International Conference on Computational Methods in Science and Engineering (ICCMSE)

Referee on:
Journal of the American Chemical Society
The Journal of Chemical Physics
Journal of Physical Chemistry
Journal of Chemical Theory and Computation
Chemical Physics Letters
Chemical Physics
Molecular Physics
Journal of Physics B. Atomic, Molecular and Optical Physics.
Journal of Physics D. Applied Physics.
Journal of Physical Organic Chemistry
International Journal of Quantum Chemistry.
Journal of Computational Chemistry.
Physica Status Solidi
ACH_Models in Chemistry
Zeitschrift fuer Physikalische Chemie
New Journal of Physics
Synthetic Metals
Journal of Molecular Modelling
Inorganic Chemistry
Journal of Polymer Science Part B: Polymer Physics
Physica Scripta

1. George Maroulis and Theodore Simos
In the Frontiers of Computational Science
VSP Brill, Leiden (2005) (ISBN 90-6764-442-0).
2. George Maroulis
Atoms, molecules and clusters in electric fields: Theoretical approaches to the
calculation of electric polarizability.
Imperial College Press, London (2006) (ISBN 1-86094-676-3)
3. George Maroulis
Computational aspects of electric polarizability calculations: Atoms,
molecules and clusters.
IOS Press, Amsterdam (2006) (ISBN 1-58603-495-2)
4. George Maroulis
Structures and properties of clusters. From a few atoms to nanoparticles.
VSP Brill, Leiden (2006) (ISBN 978 9067644 56 3).

Approximately 174 original papers in various Journals (Journal of Chemical Physics, Journal of Physical Chemistry A and B, Physical Review A, Chemical Physics Letters, Molecular Physics, Journal of Physics B: Atomic, Molecular and Optical Physics, International Journal of Quantum Chemistry, etc.). More than 3350 citations in Scientific  Journals and related publications. Hirsch-index 36.


- Physical Chemistry II
- Chemistry and Informatics
- Computational Chemistry
- Molecular Design

Research Activities

Theoretical and Mathematical Chemistry:
Molecular properties of atoms, molecules and clusters.

Computational Quantum Chemistry:
1. Molecular Enviromental Sciences
2. Material Sciences
3. Computational Quantun Medicinal Chemistry

Representative Publications

  • G.Maroulis
    Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N2.
    Journal of Chemical Physics 118, 2673-2687 (2003).
  • G.Maroulis and D.Xenides
    Electric quadrupole and hexadecapole moment, dipole and quadrupole polarizability, second electric dipole hyperpolarizability for P2 and a comparative study of molecular polarization in N2, P2 and As2.
    Journal of Physical Chemistry A 107, 712-719 (2003).
  • G.Maroulis, D.Begue and C.Pouchan
    Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations.
    Journal of Chemical Physics 119, 794-797 (2003).
  • G.Maroulis and C.Pouchan
    Size and electric dipole (hyper)polarizability in small cadmium sulfide clusters: An ab initio study on (CdS)n, n=1, 2 and 4.
    Journal of Physical Chemistry B 107, 10683-10686 (2003).
  • U.Hohm and G.Maroulis
    Dipole-quadrupole and dipole-octopole-polarizability of OsO4 from depolarized collision-induced light scattering experiments, ab initio and density functional theory calculations.
    Journal of Chemical Physics 121, 10411-10418 (2004).
  • A.Haskopoulos and G.Maroulis
    Effect of the symmetric stretch on the dipole polarizability of the cyclic form of the ozone molecule. A study based on high-level ab initio and density functional theory calculations.
    Chemical Physics Letters 397, 253-257 (2004).
  • G.Maroulis
    Bonding and (hyper)polarizability in the sodium dimer
    Journal of Chemical Physics 121, 10519-10524 (2004).
  • P.Karamanis, G.Maroulis and C.Pouchan
    Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and density functional theory calculations.
    Journal of Chemical Physics 124, 071101 (2006).
  • U.Hohm and G.Maroulis
    Experimental and theoretical determination of the dipole-quadrupole and dipole-octopole polarizabilities of the group IV tetrachlorides TiCl4, ZrCl4 and HfCl4.
    Journal of Chemical Physics 124, 124312 (2006).
  • W. Glaz, T. Bancewicz, J.-L. Godet, G. Maroulis and A. Haskopoulos.
    Hyper-Rayleigh light scattering spectra determined by ab initio collisional hyperpolarizabilities of He-Ne atomic pairs.
    Physical Review A 73, 042708 (2006).

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