B.Sc. 1995, M.Sc. 1997, Ph.D. 2000, all at the Department of Chemistry, National and Kapodistrian University of Athens.
Research Associate at TPCI/NHRF since 9/2006; Research Associate at Laboratory of Physical Chemistry, Department of Chemistry, NKUA 12/2000-8/2006; HPC- Europa Transnational Access programme (Research Associate Visitor, Theoretical Chemistry, Materials Science Center, Rijksuniversiteit Groningen, the Netherlands (10-11/2004); AWU fellow, PNNL, Richland, U.S.A. (7-9/1998); Summer School, Cornell University, Ithaca, N.Y., 7/1998.
Laboratory Instructor, Physical Chemistry, at the Chemistry Department, University of Athens, 9/1996 - 6/1998. Teaching-Seminars of pc usage at Chemistry Department, University of Athens 5-12/1999 and KORELplus, Athens 11/2001-9/2002.
MAIN RESEARCH INTERESTS
Accurate ab initio calculations via MRCI and CCSD(T) methods on small molecules. Calculations of excited molecular states and their potential energy curves or surfaces, prediction of the spectra, calculation of the relativistic effects, etc.; i.e., diatomic and triatomic molecules including transition metals. Study of van der Waals systems, interactions of water with ''hydrophobic'' organic molecules via MP and CC methods. Study of large systems such as solid state and interactions of small molecules with surfaces mostly via DFT methods.Theoretical studies on supramolecular systems, fullerene crown ethers and complexes of porphyrins. Theoretical study of organic reactions.
CONFERENCES AND INVITED TALKS
Participation in 13 international conferences (2 invited talks). Have given 4 invited talks at Universities.
HONORS AND AWARDS Greek Award 2009 L'OREAL-UNESCO for the Women in Science,Fellowship of Academy of Athens (9/2002-6/2000), Associated Western Universities (AWU), USA, Laboratory Graduate Fellowship (7-9/1998), National Scholarship Foundation of Greece (11/1996-4/2000), National Scholarship Foundation of Greece (for academic achievement, 1991-1995), Scholarship of Women Association of Trikala (for achieving the highest score at the entrance examinations for the Chemistry Department, 1991-1992).
PROFESSIONAL AFFILIATIONS AND ACTIVITIES
AWU Fellow, HPC- Europa Transnational Access programme. Member of the Greek Chemical Society.
34 publications in refereed international scientific journals with 270 citations to the published work.
1. ''Theoretical study of adsorption of group IIIA nitrides on Si(111)'', D. Tzeli, I.D. Petsalakis, and G. Theodorakopoulos, J. Phys. Chem. C 113, 5563 (2009).
2. ''First principles study of the electronic structure and bonding of Mn2'', D. Tzeli, U. Miranda, I.G. Kaplan, and A. Mavridis J. Chem. Phys. 129, 154310 (2008).
3. ''Structure and energetics of InN and GaN dimmers'', L. Simova, D. Tzeli, M. Urban, I. Cernusak, G. Theodorakopoulos, and I.D. Petsalakis, Chem. Phys. 349, 98 (2008).
4. ''The electron affinity of gallium nitride (GaN) and digallium nitride (GaNGa): The importance of the basis set superposition error in strongly bound systems'', D. Tzeli and A.A. Tsekouras, J. Chem. Phys. 128, 144103 (2008).
5. ''Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)NH4-x+, x = 0-4'', D. Tzeli, G. Theodorakopoulos, and I.D. Petsalakis, Phys. Chem. Chem. Phys. 13 954, (2011).