Άγγελος Αβραμόπουλος

- Θεωρητική και Υπολογιστική Νανο-Φυσική και Χημεία, Επιστήμη των Υλικών.
- Μελέτη της αλληλεπίδρασης φωτός και ύλης στο μικροσκοπικό επίπεδο.
- Υπολογιστική Κβαντική Χημεία και Ηλεκτρικές Ιδιότητες Ανόργανων Και Οργανικών Ενώσεων.
- Θεωρητική και υπολογιστική μελέτη της μοριακής δομής.
- Επιστημονικοί Υπολογισμοί μη γραμμικών οπτικών ιδιοτήτων.
- Σχέση δομής-πόλωσης των υλικών.
- Οπτικές ιδιότητες υλικών.
- Ανάπτυξη και Εφαρμογή Προχωρημένων Μεθόδων της Κβαντικής Φυσικής και Χημείας για τη Σχεδίαση Υλικών για Εφαρμογές (φωτονική, φάρμακα).
- Μοντελοποίηση Φυσικοχημικών Ιδιοτήτων και Βιολογική Ενεργότητα Νανοσωματιδίων.

ΑΝΤΙΠΡΟΣΩΠΕΥΤΙΚΕΣ ΔΗΜΟΣΙΕΥΣΕΙΣ

Avramopoulos, A.; Reis, H.; Tzeli, D.; Zaleśny, R.; Papadopoulos, M.G. Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation. Molecules 2023, 28, 5646. https://doi.org/10.3390/molecules28155646

Aggelos Avramopoulos, Heribert Reis, Demeter Tzeli, Robert Zaleśny, Manthos Papadopoulos
Photoswitchable Molecular Units with Tunable Non-Linear Optical Activity: A Theoretical Investigation
https://doi.org/10.20944/preprints202307.0483.v1, Preprints.org 2023, 2023070483

G. Megariotis, G. Mikaelian, A. Avramopoulos, N. Romanos, D. N. Theodorou , Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrin J. Mol. Graphics Modell, 2022, 117, 108305

Panagiotis Aloukos,IoannisOrfanos, Ioannis Dalamaras, Antonia Kaloudi-Chantze, Aggelos Avramopoulos, George Pistolis, Stelios Couris, " Nonlinear optical response of some Boron-dipyrromethene dyes: An experimental and theoretical investigation", https://doi.org/10.1016/j.matchemphys.2022.126057, Mat. Chem. Phys, 2022

Grigorios Megariotis, Nikolaos Romanos, AggelosAvramopoulos, GeorgiosMikaelian, Doros N.Theodorou,
In Silico Study of Levodopa in Hydrated Lipid Bilayers at the Atomistic Level, J. Mol.Graphics Model, June 2021
https://doi.org/10.1016/j.jmgm.2021.107972

Benedetta Squeo, Aggelos Avramopoulos, Alkmini Nega, Aristea Pavlou, Michael Siskos, Panagiota Koralli, Andriana Schiza, Antonia Dimitrakopoulou-Strauss, Vasilis Gregoriou, Christos Chochos,
Far-Red to Near Infrared Emissive Aqueous Nanoparticles Based on a New Organic Material with Three BODIPY Dyes at the Periphery of the Core: A Combined Experimental and Theoretical Study, Electron. Mater. 2021, 2, 24–38. https://doi.org/ 10.3390/electronicmat2010003
https://www.mdpi.com/2673-3978/2/1/3/htm (Highly Accessed Article, February 2021 https://www.mdpi.com/journal/electronicmat)

Avramopoulos A, Zalesny R., Reis H., Papadopoulos M.G. A computational strategy for the design of photochromic derivatives based on diarylethene and nickel dithiolene with large contrast in non-linear optical properties, , J. Phys. Chem C, 2020, 124,4221-4241.

Banerjee P., Avramopoulos A., Nandi P.K., Static Second Hyperporizability of Diffuse Electron Cyclic Compounds M2A2 (M= Be, Mg, Ca; A=Li, Na, K): Effect of Basis Set and Electron Correlation,, Chem. Phys. Lett., 2019,16,92-98.

Avramopoulos A, Otero N, Reis H., Karamanis P, Papadopoulos MG. A computational study of photonic materials based on Ni bis(dithiolene) fused with benzene, with gigantic second hyperpolarizabilities. J Mat. Chem C. 2018,6,91-110.C15

Miletić, T., Fermi A., Papadakis, I., Orfanos I.,Karampitsos N., Avramopoulos, A., Demitri N., De Leo F., Pope, Simon J. A. Papadopoulos, M. G. Couris, S. Bonifazi, D. A Twisted Bay-Substituted Quaterrylene Phosphorescing in the NIR Spectral Region, Helvetica Chimica Acta, 2017, 100 (11).

Papavasileiou KD, Avramopoulos A, Leonis G, Papadopoulos MG. Computational investigation of fullerene-DNA interactions: Implications of fullerene's size and functionalization on DNA structure and binding energetics. J Mol Graph Model 2017;74:177-92.

Jagiello K, Chomicz B, Avramopoulos A, Gajewicz A, Mikolajczyk A, Bonifassi P, Papadopoulos MG, Leszczynski J, Puzyn T. Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated? Struct Chem 2017;28(3):635-43.

Miletić T, Fermi A, Orfanos I, Avramopoulos A, De Leo F, Demitri N, Bergamini G, Ceroni P, Papadopoulos MG, Couris S, Bonifazi D. Tailoring colors by O annulation of polycyclic aromatic hydrocarbons. Chem Eur J 2017;23(10):2363-78.

Avramopoulos A, Reis H, Otero N, Karamanis P, Pouchan C, Papadopoulos MG. A series of novel derivatives with giant second hyperpolarizabilities, based on radiaannulenes, tetrathiafulvalene, nickel dithiolene, and their lithiated analogues. J Phys Chem C 2016;120(17):9419-35.

Avramopoulos A, Otero N, Karamanis P, Pouchan C, Papadopoulos MG. A computational study of the interaction and polarization effects of complexes involving molecular graphene and C60or a nucleobases. J Phys Chem A 2016;120(2):284-98.

Coe BJ, Avramopoulos A, Papadopoulos MG, Pierloot K, Vancoillie S, Reis H. Theoretical modelling of photoswitching of hyperpolarisabilities in ruthenium complexes. Chem Eur J 2013;19(47):15955-63.

Serrano-Andŕs L, Avramopoulos A, Li J, Lab́guerie P, Bégué D, Kellö V, Papadopoulos MG. Linear and nonlinear optical properties of a series of ni-dithiolene derivatives. J Chem Phys 2009;131(13),134312.

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