Βιογραφικό Σημείωμα

Ioannis D.Petsalakis

Director of Research, TPCI/NHRF

Theoretical and Physical Chemistry Institute,
National Hellenic Research Foundation,
48 Vassileos Constantinou Ave.,
Athens 11635, Greece

Tel.: +30 210 7273807
FAX: +30 210 7273794
Email: idpet

EDUCATION
Diploma in Physics (BSc.), Aristotelean University of Thessaloniki, Department of Physics, 1980.
Ph.D. in Molecular Physics, Capodistrian University of Athens, Department of Physics and The National Hellenic Research Foundation, Theoretical and Physical Chemistry Institute, 1986.

PROFESSIONAL BACKGROUND
Place of permanent employment: Theoretical and Physical Chemistry Institute, The National Hellenic Research Foundation, Athens, Greece.

RESEARCH VISITS
(a) Sabbatical leave August 2002 - July 2003.
Department of Chemistry, University of Toronto, Ontario, Canada.
Collaboration with Prof. J.C. Polanyi (Nobel in Chemistry 1986) on theoretical study of the attachment of molecules on Si(111) surfaces.
(b) Bergische Universitat - Gesamthochschule Wuppertal, Theoretische Chemie, Wuppertal, Germany.
From October 1982 - present, visits of a few weeks almost every year.
Collaboration with Prof. R. J. Buenker and his group on development of computer programs for molecular calculations.
(c) Sabbatical leave August 1994 - July 1995.
Department of Theoretical Chemistry, Oxford University, Oxford, England.
Collaboration with Prof. M.S. Child on development of theory and computational program Multi-channel Quantum Deffect calculations.
(d) Sabbatical leave August 1987 - July 1988.
Department of Chemistry, Carleton University, Ottawa, Canada.
Collaboration with Prof. J.S. Wright on spectroscopy of Rydberg molecules

RESEARCH INTERESTS
      My research interests lie mainly in the field of molecular physics from a theoretical point of view.  Of particular interest are the determination of excited states of molecules as well as the interaction of molecules with electromagnetic radiation.  In my work, both development of theoretical methods and applications have been carried out. They are within the framework of Quantum Mechanics and are devoted  to

• theoretical studies on donor-acceptor carbon based materials (photovoltaics, photonics)
• theoretical calculations on organic light emitted diods (OLED)
• theoretical investigations on visually detected molecular sensors (chemical warfare agents, bio sensors)
• theoretical investigation of attachment of molecules at  Si(111) surface (molecular printing)
•  the prediction of the spectra of diatomic and triatomic molecules,
• the calculation of predissociation resonances (Complex coordinate rotation)
• the prediction of highly excited molecular states (Multi-channel Quantum Defect Theory)
• calculations including relativistic effects for molecules with heavy atoms
• time-dependent studies of photodissociation as well as laser-induced molecular formation,
• the calculation of  "difficult" electronic states involving near degeneracies and symmetry breaking (Non-orthonormal configuration interaction, Multi-Reference single and Double excitations Configuration Interaction)

EXTERNAL FUNDING PROJECTS
 (i) Member of team (I.D. Petsalakis, G. Theodorakopoulos and N. Tagmatarchis-coordinator) involved in NANOHOST project (FP7-REGPOT-2007-1) Feb. 1,2008- Feb.,2011 (ii) FP7-PEOPLE- IRG-2008, 2008-2012 (iii) Greece-Slovakia joint research and technology project, 2005-2007. (iv) MCIF-EU, 2003-2004, EU MCIF (2000-2001) (v) NATO PST/CLG.977379, (2009-2011),  NATO PST/CLG.978504 , (2002-2003), NATO - CRG (2001-2002), NATO - CRG (1998-2000), (vi)2 X, Greece-Poland joint research and technology project 2001-2003, (vii)Greece-Russia joint research and technology project 1999-2000,  (viii) INTAS 1999, 2000-2003,. (ix) GSRT-PRAXE-17 (2002-2004) (x) Participation in other NATO and GSRT bilateral projects.

PARTICIPATION IN INTERNATIONAL MEETINGS
I have participated in 20 international conferences and two local, in Greece, I have been co-organizer in two conferences, and I have given many invited talks in Greek, German, Israel and Canadian universities.

DISTINCTIONS

• Scholarship from the Theoretical and Physical Chemistry Institute of the National Hellenic Research Foundation, 1/8/1980-28/2/1986.
• Scholarship from the Alexander Von Humboldt Foundation, 1/11/1995-31/10/1996.
• Alexander von Humboldt Fellow.
• Scholarship from EC (Marie Curie Individual Fellowship), 1999.
• Marie Curie Fellow.

PUBLICATIONS
115 refereed articles in international scientific journals. About 1000 non-self citations

Full list of publications

SELECTED PUBLICATIONS

• I. D. Petsalakis, D. Tzeli, I. S. K. Kerkines and G.  Theodorakopoulos , "Theoretical study on the electronic structure and the absorption spectra of  complexes of C60 and  C59N with π-extended derivatives of tetrathiafulvalene"  Comp. and Theor. Chem.965, 168  (2011)
• I. S. K. Kerkines, I. D. Petsalakis, G. Theodorakopoulos and J. Rebek, Jr, "Excited state intramolecular proton transfer in hydroxy oxime-based chemical sensors" The  J. Phys. Chem.  A.  115, 834 (2011)
• I.D.Petsalakis, D.Georgiadou, M.Vasilopoulou, G.Pistolis, D.Dimitrokali, P.Argitis and G.Theodorakopoulos, "Theoretical Investigation on The Effect of Protonation on The Absorption and Emission Spectra of Two Amine-Goup-Bearing, Red "Push-Pull" Emitters, 4-Dimethylamino-4'-Nitrostilbene (DANS) and 4-(Dicyanomethylene)-2-Methyl-6-p-(Dimethylamino) Styryl-4H-Pyran (DCM), by DFT and TDDFT Calculations", J. Phys. Chem. A 114, 5580 (2010)
• I.D. Petsalakis, I.S.K. Kerkines, N.N. Lathiotakis and G. Theodorakopoulos "Emitting and electron-transfer electronic states of tertiary amine-fluorophore sensor systems" , Chem. Phys. Lett.  474, 278 (2009).
• I.D.Petsalakis and G.Theodorakopoulos, Photoinduced charge transfer in fullerene-donor dyads: A theoretical study. Chem. Phys. Let. 466, 189 ( 2008)
• I.D.Petsalakis, N.Tagmatarchis, G.Rotas and G.Theodorakopoulos, Theoretical study on triphenylamine-based sensors of dicarboxylic acids, J. Molecular Structure 807, 11 (2007)
• K. Rajamma Harikumar, Ioannis D. Petsalakis, John C. Polanyi,and Giannoula Theodorakopoulos,  Theoretical study of  the halogenation reactions of 1,2- and 1,4-dibromobenzene at Si(111)-7?7, Surface Science 572 162 (2004)
• I.D Petsalakis, Theoretical study on electronic states of carbon monofluoride and on the predissociation of the lower lying states, J. Chem. Phys. 110, 10730 (1999)
• I.D. Petsalakis G.Theodorakopoulos, Yan Li, G. Hirsch ,R.J.Buenker and M.S. Child, Theoretical study on the Rydberg states of NeH. Ab initio, quantum defect and complex coordinate calculations , J. Chem. Phys. 108,7607 (1998)