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

1. 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).
2. 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).
3. 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).
4. S. C. Farantos, Exploring Molecular Vibrations with Periodic Orbits, Int. Rev. Phys. Chem., 15, 345 (1996).
5. 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).
6. 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).
7. 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).
8. 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).
9. 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).
10. S. C. Farantos, POMULT: A Program for Computing Periodic Orbits in Hamiltonian Systems Based on Multiple Shooting Algotithms, Comp. Phys. Comm., 108, 240 (1998).
11. S. Stamatiadis, R. Prosmiti and S. C. Farantos, AUTO_DERIV: Tool for automatic differentiation of a FORTRAN Code, Comp. Phys. Comm., 127, 343, 2000.