Professor Emeritus
Tel: (+302610) 962965
e-mail:
Web Page: http://www.chem.upatras.gr/faculty/maroulis
http://www.quantum.chem.upatras.gr/faculty/maroulis
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
Chemistry.
Editor-in-Chief
Computing Letters (CoLe)
Section C. Computational Biology and Medicine
Section D. Computational Chemistry and Physics
Editor-in-Chief
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
Molecules
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
Books:
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.
Courses
- 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).