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Έρευνα Θέματα Πτυχιακών Ανακοινώσεις News

2024

Conference Presentations and Lectures

  • Final General Meeting of the MD-GAS COST Action CA18212, Hamburg, Germany, 8-12/4/2024
    - "Tunining the photophysical properties of heterocyclic compounds and complexes", E. Papamichalis, C. E. Tzeliou, K. P. Zois, E. Dimou, C. Kolokytha, D. Tzeli (Poster)

  • 1st Global Action Meeting COST Action CA22131, Casa San Marco, Abano Terme (PD), Italy, 18-19/4/2024
    - "Accurate Computational Studies of Photophysical Processes of Chemosensors", D. Tzeli, C. E. Tzeliou, E. Papamichalis, I. D. Petsalakis, G. Theodorakopoulos (talk)

  • 14th Panhellenic Research Conference Chemical Mechanics Porto Palace Hotel, Thessaloniki, Greece, 29-31/5/2024
    - "Computational and Experimental Study of Photophysical Properties and Processes in Dyes and Systems PMMA-Dyes", C. Kolokytha, A. Sinani, T. Manouras, E. Angelakos, N. N. Lathiotakis, C. Riziotis, D. Tzeli (poster)






    2023

    Conference Presentations and Lectures

  • 7th International conference on Nanoscience and Nanotechnology ICONN-2023: SRM University, Tamil Nadu, India, 27-29/3/2023
    - "Theoretical study of the adsorption, capture and decomposition of N2O molecule on 2D-MoS2 surface with and without S-vacancies", Kawazoe Prize for the Best Poster in ACCMS Symposium on Computational Materials, Methods and Numerical Techniques, C. E. Tzeliou, N. N. Lathiotakis, D. Tzeli, (poster)
    - "Theoretically study of the photophysical properties of the Zinc-N-Confused Tetraphenylporphyrin adsorbed or chemically linked on 2D-MoS2 surface", E. Papamichalis, N. N. Lathiotakis, D. Tzeli (poster)

  • 19th Hellenic Symposium on Medicinal Chemistry: University of Patras, Patra, Greece, 9-11/3/2023
    - "Conformational properties and biological targets of thiocarbohydrazone and chalcone-derived 3,4-dihydropyrimidine thione", N. Georgiou, E. Chontzopoulou, A. Cheilari, A. Katsogiannou, D. Karta, K. Vavougyiou, D. Hadjipavlou-Litina, U. Javornik, J. Plavec, D. Tzeli, S. Vassiliou, T. Mavromoustakos (Poster)

  • 2nd SYMPOSIUM OF GRADUATE STUDENTS OF THE CHEMISTRY DEPARTMENT: National and Kapodistrian University of Athens, Athens, Greece, 8-9/6/2023
    - "Computational and Experimental Study of Photochemical Processes of Dyes and Pigments Dyes-PMMA", C. Kolokytha, A. Sinani, T. Manouras, E. Angelakos, N. N. Lathiotakis, C. Riziotis, D. Tzeli (poster)
    - "Computational study of Curcumin photosensitizer for photodynamic therapy", E. Dimou, D. Tzeli (poster)
    - "Cu complexes with remote N-Heterocyclic Carbene ligands: A Theoretical and Experimental mating", K.P. Zois, E. Papangelis, N. Tsoureas, L. Karmazin, P. Braunstein, A. Danopoulos, D. Tzeli (oral)
    - "Computational study on the role of sulfur vacancy in 2D-MoS2 surface: adsorption and reactions of the N2O molecules on a 2D-MoS2 surface", C. E. Tzeliou, N. N. Lathiotakis, D. Tzeli (poster)
    - "Spectroscopic and Computational Studies on the Formation of Halogen-Bonded Complexes between Tertiary Amines and Halomethanes in Solution", E. A. Routsi, O. G. Mountanea, C. Mantzourani, C. G. Kokotos, D. Tzeli, G. Kokotos (oral)
    - "Photoorganocatalytic N-O bond cleavage of O-benzyl hydroxamic acids", A.-D. Gerogiannopoulou, E. A. Routsi, D. Tzeli, C. G. Kokotos, G. Kokotos (oral)
    - "Synthesis and characterization of a series of 3d-metal complexes supported by a bis-aryloxide ligand", I. Vagiakos, D. Tzeli and N. Tsoureas, (oral)
    - "In silico study and synthesis of statins and novel magnetic nanocarriers for targeting vascular therapies", K. Moschovou, D. E. Prokopiou, A. Stavropoulou, N. Georgiou, D. Tzeli, P. Neofytou, E. Efthimiadou, T. Mavromoustakos (poster)

  • 17th International congress of Quantum Chemistry, ICQC 2023: Bratislava, Slovakia, 26/6-1/7/2023
    - "Electronic structure and bonding properties of iron-sulfur model complexes", D. Tzeli, C. Mejuto-Zaera, D. Williams-Young, N. M. Tubman, M. MatouΕ‘ek, J. Brabec, P. Golub, L. Veis, S. Raugei, S. S. Xantheas, W. A. de Jong (invited oral presentation)

  • MD-GAS Training school: Theory and modelling of dynamics of molecules and clusters in the gas phase: Gdansk, Poland, 3-7/7/2023
    - "Theoretical study of adsorption and chemisorption of N2O molecules on a 2D-MoS2 surface: the effect of S-vacancies", C. E. Tzeliou, N. N. Lathiotakis, D. Tzeli, (poster)
    - "UV-VIS, NMR and DFT studies on the formation of halogen-bond between tertiary amines and CBr4 in solution", E. A. Routsi, O. G. Mountanea, D. Tzeli, C. G. Kokotos, G. Kokotos, (poster)

  • EuChemS CompChem: European Chemical Society Division of Computational and Theoretical Chemistry, Thessaloniki, 27-31/8/2023
    - "Electronic Structure and Chemical Bonding in systems containing of transition metals", D. Tzeli (invited talk)

  • SSD20 - 20th International Conference on Solid State Dosimetry: Viareggio, Italy, 17-22/9/2023
    - "A preliminary Ab Initio study of Thermoluminescence properties in Beryllium Oxide: Theoretical investigation on the electronic states of BeO: Mg2+, Si4+ and BeO: Cr3+, Mg2+", E. Tsoutsoumanos, D. Tzeli, A. Avramopoulos, P.G. Konstantinidis, N. Laskaris, N. Lathiotakis, G. Kitis, G.S. Polymeris, T. Karakasidis, (poster)

  • XXXVII Panhellenic Conference on Solid State Physics and Materials Science: Thessaloniki, Greece, 17-20/9/2023
    - "Investigating Thermoluminescence Signal Replication in BeO:Mg2+, Si4+ via First Principles Computational Analysis", E. Tsoutsoumanos, D. Tzeli, A. Avramopoulos, P.G. Konstantinidis, N. Laskaris, N. Lathiotakis, G. Kitis, G.S. Polymeris, T. Karakasidis, (poster)

  • 4th MD-GAS General Meeting: Dubrovnik, Croatia, 25-27/9/2023
    - "Theoretical kinetic study of Criegee intermediates with N2O", C. E. Tzeliou, E. Erdmann, D. Tzeli, and M. Labuda (talk)
    - "Theoretical study of FexSy and MoSy molecular systems", D. Tzeli, M. A. Mermigki (poster)
    - "Computational study on the thermochemistry and chemical bonding of the HN3, H2N4, HNC22- and H2N2C22- species", G. A. Tsekouras, D. Tzeli (poster)

  • 2nd Panhellenic Workshop on Inorganic Chemistry: Chemistry Department, NKUA, Athens, GR, 28-30/9/2023
    - "Theoretical and Experimental perspectives on Cu complexes bearing remote N-Heterocyclic Carbene ligands (rNHC's)", K.P. Zois, E. Papangelis, P. Braunstein, L. Karmazin, N. Tsoureas, A. Danopoulos, D. Tzeli (poster)

  • 9th International BAU Drug Design Congress 2023: Constantinoupolis, Turkey, 29/11-2/12/2023
    - "A 4-hydroxy-2-quinolinone-triazole hybrid as potential anti-inflammatory agent", N. Georgiou, A. Tzani, I. Kostopoulou, M.-A. Karadendrou, K. Vavougyiou, P. Sket, J. Plavec, D. Tzeli, A. Detsi, Th. Mavromoustakos (poster)

  • Lecture at the Department of Chemistry, University of Ioannina, Ioannina, 23/11/2023
    - "Electronic structure methodology: From small molecules to supermolecular systems", D. Tzeli


    Thesis Defenses

    M.Sc Thesis: "Computational study of photosensitizers for photodynamic therapy" E. Dimou, 23/2/2023
    M.Sc Thesis: "An ab initio investigation of the electronic structure of the diatomic species MoX, where X = Li, Be, B, C, N, O, F" A. Androutsopoulos, 22/6/2023
    M.Sc Thesis: "Computational and Experimental Study of Photochemical Properties and Processes of Dyes and Pigments Dyes-PMMA" C. Kolokytha, 16/10/2022

    B.Sc. Thesis: "Computational study of aminophthalic acid derivatives and dioxanes participating in the chemiluminescence mechanism of luminol derivatives" C. Dimitriou, 31/1/2023
    B.Sc. Thesis: "Computational study of interactions and experimental study of surface tension of aqueous solutions of alcohols and electrolytes" A. P. Karantoni, 28/2/2023




    2022

    Conference Presentations and Lectures

  • 1st SYMPOSIUM OF GRADUATE STUDENTS OF THE CHEMISTRY DEPARTMENT: National and Kapodistrian University of Athens, Athens, Greece, 17-18/3/2022
    "Computational Study of FexSy clusters", M. A. Mermigki, D. Tzeli
    "Theoretical investigation of MoO", A. Androutsopoulos, T. Depastas, D. Tzeli
    "The Bonding and Spectroscopy of MoC, Mo2 and Mo2Cln (n=2-10): An ab initio study", T. Depastas, A. Androutsopoulos, D. Tzeli
    "A 3-input AND molecular logic gate with enhanced fluorescence output: The key atom for the accurate prediction of the spectra", C. Tzeliou, D. Tzeli
    "Conformational properties of new thiosemicarbazone and thiocarbohydrazone derivatives and their possible targets", N. Georgiou, A. Katsogiannou, D. Tzeli, S. Vassiliou, T. Mavromoustakos

  • Lecture at the Department of Chemistry, NKUA, 20/5/2022
    "Progress in electronic-structure based computational methods: From small molecules to supermolecular systems", D. Tzeli

  • Lecture at the Department of Chemistry, University of Patras, 26/5/2022
    "Progress in electronic-structure based computational methods: From small molecules to supermolecular systems", D. Tzeli

  • 2nd BRFAA Mini Symposium: Computational methods in drug and materials design Biomedical Research Foundation of the Academy of Athens, Athens, 20/6/2022
    "DFT and Semiempirical Calculations: Powerful tools for drug and materials" D. Tzeli (Talk)

  • Athens Conference on Advances in Chemistry (acac2022): Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece, 26/6-1/7/2022 (Organizing Committee)
    "Electronic structure and bonding properties of iron-sulfur model complexes", D. Tzeli (Talk)
    "First-principles exploration of the MoX (X = Li, Be, B, C, N, O, F) diatomic molecules", A. Androutsopoulos, T. Depastas, D. Tzeli (Poster)
    "The effect of transition metals on the absorption spectra of metallocene-naphthalimide derivatives", C. Tzeliou, D. Tzeli (Poster)
    "Computational Study of triatomic FeS2 and MoS2 molecules", M. A. Mermigki, I. Karapetsas, D. Tzeli (Poster)
    "Structure assignment, conformational analysis and discovery of potential targets of the thiosemicarbazone and thiocarbohydrazone derivatives", N. Georgiou, A. Katsogiannou, D. Tzeli, S. Vassiliou, U. Javornik, J. Plavec,T. Mavromoustakos (Flash oral presentation)
    "Molecular studies on lipoxygenase enzyme and its potent inhibitors", E. Chontzopoulou (Talk), C. Papaemmanouil, M. V. Chatziathanasiadou, D. Kolokouris, S. Kiriakidi, A. Konstantinidi, I. K. Kostakis, E. D. Chrysina, D. Hadjipavlou-Litina, D. Tzeli, A. G. Tzakos, J. Jose Nogueira Perez, T. Mavromoustakos

  • WATOC 2020, the 12th Triennial Congress of the World Association of Theoretical and Computational Chemists, Vancouver, Canada, 3-8/7/2022.
    "The Many-Body Expansion in Chemistry", S. S. Xantheas (Invited Speaker), J. Heindel, K. M. Herman, J. Mato, D. Tzeli
    "The Many-Body Expansion in Alkaline Earth Metals", J. Mato, (Poster)D. Tzeli, S. S. Xantheas

  • DEEP-GAS 2022: Dynamics of Energetic & Electronic Processes in molecules and clusters in the GAS phase, Madrid, Spain, 4-7/10/2022
    "Quadruple and sextuple bonds in diatomic molecules", D. Tzeli (Invited Speaker), T. Depastas and A. Androutsopoulos
    "The key atom for the accurate prediction of the absorption and emission spectra of a 3-input AND molecular logic gate", C. Ε. Tzeliou, D. Tzeli (Poster)

  • Research Visitor Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, CZ, 23-25/10/2022
    "Calculations of multiple metal centers in systems of catalytic and biological importance"

    Thesis Defenses

    M.Sc Thesis: "Molecular logic gates: Theoretical study of metallocene-naphthalimide derivatives" C. Ε. Tzeliou, 7/6/2022
    M.Sc Thesis: "Computational spectroscopic study of Complexes of Tetraphenylporphyrin in solvent and on 2D-MoS surface2" Ε. Papamichalis, 23/6/2022
    M.Sc Thesis: "Electronic structure and bonding analysis of diatomic and triatomic molecules of transitions metals" M. A. Mermigki, 17/10/2022




    2021

    Conference Presentations

  • Athens Conference on Advances in Chemistry (acac2020): Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece, 10-14/3/2021
    "Encapsulation in Chalcogen-Bonded vs Ηydrogen-Βonded Cages", D. Tzeli (Talk)
    "Analysis of the double, quadruple and sextuple chemical bonding of diatomic molecules of 2nd row transition metals", A. Androutsopoulos, T. Depastas, I. Karapetsas, D. Tzeli (Flash oral presentation)
    "Tuning the absorption spectra of Nickel and Zinc Complexes of N-confused Tetraphenylporphyrin", E. Papamichalis, I. D. Petsalakis, D. Tzeli (Flash oral presentation)
    "Theoretical study of the photophysical processes of a three-input AND molecular logic gate with an enhanced fluorescent output", C. Tzeliou, D. Tzeli (Flash oral presentation)
    "Electronic structure and Bonding properties of iron.sulfur clusters" M. A. Mermigki and D. Tzeli (Flash oral presentation)
    "Unreveling the catalytic mechanism of proton reduction by a copper(I) diamine catalyst" M. Drosou, (Talk) F. Kamatsos, G. Ioannidis, A. Zarkadoulas, C. A. Mitsopoulou, C. Papatriantafyllopoulou, D. Tzeli

  • MD-GAS WG1 & WG2 Meeting: COST Action: CA18212 - Molecular Dynamics in the GAS phase. Virtual Conference, 15-19 March 2021.
    "Time-evolution study of photoinduced charge-transfer in fluorophore systems", D. Tzeli, Th. Mercouris, G. Theodorakopoulos, I. D. Petsalakis (Poster presentation)

  • eSSENCE-EMMC e-Meeting: Multiscale modelling of materials and molecules - physics-based and data-driven, 7-8/6/2021.
    "Theoretical study of the photophysical processes of three-input AND molecular logic gates", C. Tzeliou, D. Tzeli, G. Theodorakopoulos, and I. D. Petsalakis (Poster)

  • VI-EGAS52, 52nd Conference of the European Group of Atomic Systems, Virtual Conference, Zagreb, Croatia (6-8/7/2021)
    "Electronic structure and Bonding Properties of Diatomic Molecule FeS", M. A. Mermigki and D. Tzeli (Poster)
    "Accurate theoretical study of the spectroscopic properties of diatomic molecules including 2nd row transition metals", A. Androutsopoulos, T. Depastas, I. Karapetsas, D. Tzeli (Poster)

  • MD-GAS Cost Action 2nd General Meeting: COST Action: CA18212 - Molecular Dynamics in the GAS phase" Virtual Conference, 4-8 October 2021
    "The effect of acidity, oxidisability, metal coordination, light, and solvent polarity", C. Tzeliou, D. Tzeli
    "Modulation of the absorption spectra of Metal Complexes of N-confused Tetraphenylporphyrin", E. Papamichalis, I. D. Petsalakis, D. Tzeli


    Thesis Defenses

    B.Sc. Thesis: "Ab initio calculations of molybdenum oxide, ΜοΟ" Α. Androutsopoulos, 6/2021




    2020

    Conference Presentations

  • New horizons in density functional theory Faraday Discussion: Faraday Division of the Royal Society of Chemistry, Online conference, 2-4 September 2020.
    "DFT study of the photophysical processes of bodipy derivatives eliciting molecular logic gate response", D. Tzeli, I. D. Petsalakis, G. Theodorakopoulos

    Thesis Defenses

  • B.S. Thesis: "N-confused porphyrins . Ni- Complexes of N-confused porphyrins" Κ. Goniadaki, 6/2020.