Stavros C. Farantos
Professor of Theoretical Chemistry and Affiliated Research Scientist in IESL-FORTH
Tel: +30 2810 391813
Fax: +30 2810 391305
E-mail: farantos@iesl.forth.gr
URL: http://tccc.iesl.forth.gr
Education
- B.Sc. in Chemistry, University of Athens(1973), Military service(1976).
- Ph.D. degree in Theoretical Chemistry, University of Sussex(1978).
Work experience
- 1978-1981: Research Fellow, School of Molecular Sciences, University of Sussex.
- 1981-1984: Research Scientist, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation.
- 1984-1989: Assistant Professor in Chemistry, University of Crete, and Affiliated Research Scientist in IESL-FORTH.
- 1989-1994: Associate Professor in Chemistry, University of Crete, and Affiliated Research Scientist in IESL-FORTH.
- 1994-present: Professor in Chemistry, University of Crete, and Affiliated Research Scientist in IESL-FORTH.
Research interests
Theoretical and computational studies in the field of Chemical Dynamics:
- Dynamics and spectroscopy of vibrationally highly excited small polyatomic molecules [1-3].
- Classical and Quantum studies on the transition from Regular to Chaotic Dynamics and their applications
to Chemical Dynamics [4-7].
- Construction of analytical Molecular Potential Energy Surfaces from ab initio calculations and empirical
data [8].
- Studies of the structure, dynamics, and thermodynamical properties of atomic and molecular microclusters
[9].
Computer codes are developed in FORTRAN and C programming languages, as well as Graphical User Interface for
an interactive use of the applications [10-11]. Efforts are made for adjusting our codes in High Performance
Computational schemes, for example, by using the package of programs MPI (Message Passing Interface).
Recent publications
- H. Ishikawa, R. W. Field, S. C. Farantos, M. Joyeux, J. Koput, C. Beck and R. Schinke, HCP-CPH
Isomerization: Caught in the Act, Annual Review of Physical Chemistry, 50, 443 (1999).
- S. Yu. Grebenshchikov, C. Beck, R. Schinke, and S. C. Farantos, Three-Dimensional Molecular Wave Packets:
Calculation of Revival Times from Periodic Orbits, Phys. Letters A, 243, 208 (1998).
- J. Weish, J. Hauschildt, R. Duren, R. Schinke, J. Koput, S. Stamatiadis and S. C. Farantos, Saddle-node
Bifurcations and their Quantum Mechanical Fingerprints in the Spectrum of HOCl, J. Chem. Phys., 112, 77 (2000).
- S. C. Farantos, Exploring Molecular Vibrations with Periodic Orbits, Int. Rev. Phys. Chem., 15, 345 (1996).
- R. Guantes and S. C. Farantos, High Order Finite Difference Algorithms for Solving the Schrodinger
Equation in Molecular Dynamics. I. Radial Variables, J. Chem. Phys., 111, 10827 (1999).
- R. Guantes, A. Nezis and S. C. Farantos, Periodic Orbit-Quantum Mechanical Investigation of the
Inversion Mechanism of Ar3, J. Chem. Phys., 111, 10836 (1999).
- R. Guantes and S. C. Farantos, High Order Finite Difference Algorithms for Solving the Schrodinger
Equation in Molecular Dynamics. II. Periodic Variables, J. Chem. Phys., 113, 10429 (1999).
- G. S. Fanourgakis, S. C. Farantos, M. Velegrakis and S. S. Xantheas, Photofragmentation Spectra and
Structures of Sr+Arn, n=2-8 Clusters: Experiment and Theory, J. Chem. Phys, 109, 108 (1998).
- M. Velegrakis, G. E. Froudakis and S. C. Farantos, Stability and Structure of Ni+Arn and Pt+Arn
Clusters, J. Chem. Phys., 109, 4687 (1998).
- S. C. Farantos, POMULT: A Program for Computing Periodic Orbits in Hamiltonian Systems Based on
Multiple Shooting Algotithms, Comp. Phys. Comm., 108, 240 (1998).
- S. Stamatiadis, R. Prosmiti and S. C. Farantos, AUTO_DERIV: Tool for automatic differentiation of a
FORTRAN Code, Comp. Phys. Comm., 127, 343, 2000.