Curriculum Vitae

Emmanouil Koukaras

Associate Professor, School of Chemistry

Personal Information

- 2310997708
koukarase@chem.auth.gr
Scopus ID8569859500
Google Scholar ID5ipwQVcAAAAJ
Researcher IDF-7982-2011
https://orcid.org/0000-0002-5069-8334

	SCHOOL OF CHEMISTRY
ΕΧΑ1414	Informatics in Chemistry - Modeling
ΕΧΑ2414	Applications of Informatics in Industrial Chemistry
Κ101	Molecural Models
Υ03	Applied Mathematics in Chemistry I
Υ11	Quantum Chemistry & Introduction to Spectroscopy
ΥΧΑ311	Principles of Quantum Chemistry
ΥΧΑ312	Computer Programming in Chemistry
ΥΧΑ411	Molecular Quantum Chemistry

	Kvantikī Epistīmī kai Technología
ΚΒΦ104	Material Science for Quantum Technology

	Postgraduate Program «Molecular Design and Modeling - Chemical Education»
Μ5Υ1/2	Molecular Mechanics
Μ5Υ1/3	Molecular Quantum Chemistry

	SCHOOL OF CHEMISTRY
Α05	Introduction to Informatics
Α08	Applied Mathematics in Chemistry II
ΕΧΑ413	Quantum Biochemistry
Η10	Computational Chemistry
Κ101	Molecural Models
ΚΝ102	Molecular Symmetry and Group Theory

	Postgraduate Program «Molecular Design and Modeling - Chemical Education»
Μ5Υ1/4	Applications of Molecular Symmetry and Group Theory
Μ5Υ1/5	Calculation of molecular properties
Μ5Υ1/6	Quantum Chemical Study of Chemical Reactivity
Μ5Υ1/7	Research methodology in Computational chemistry

Theses Supervised

Student Theses within AUTh

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Mechanical properties of two-dimensional crystals.
Mechanical properties of two-dimensional crystals
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Mathematical Methods in Chemistry: Differential Equations

Mathematical Formulation of Quantum Chemistry - Special Topics

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Reaction Pathways: Computational Methods and Applications
Reaction Pathways: Computational Methods

Global optimization methods with applications in chemistry: Particle swarm optimization and genetic algorithms

Molecular Machines : Computational study of molecular structures for artificial muscles.

Computational study of molecularly pillared graphene with emphasis on photosensitive molecular structures

Molecular Machines: Paradigms from Nature.
Methods of population Analysis and their Application in Computational Study on charge distribution of methyl 4-hydroxybenzoate and water
Fullerene and non-fullerene acceptors for use in the active layer of bulk heterojunction organic solar cells.

Mathematical Formulation of Quantum Chemistry - Special Topics: Polynomial Method for Exactly Solvable Potentials
Semiconductor quantum dots:theoritical study and prospects for biomedical applications.
Group 14 semiconductor quantum dots: Computational study of the effect of surface passivation and functional groups on electronic and optical properties.
Theoretical study of small molecules for use as donors in the active layer of bulk heterjuction organic solar cells.
Applications of Artificial Intelligence in Chemistry.

Research Projects

Coordinator
2023–2024	Nanophase Gallium Nitride and Oxynitride
2023–2025	Suberlubricity of 2D Materials
2018–2022	Designing pillared graphene nanomaterials with tuneable electronic properties and enhanced flexibility for electronic devices (GRAFEL)

Participant
2020–2026
2010–2014	Development of innovative nanoparticles for IXABEBILONE drug encapsulation in order to confront the breast cancer

Non ELKE AUTh

26 - 8 - 2018-26 - 2 - 2022Σχεδιάζοντας εύκαμπτα νανοϋλικά με βάση το υποστυλωμένο γραφένιο με ρυθμιζόμενες ηλεκτρονικές ιδιότητες για ηλεκτρονικές διατάξεις (GRAFEL)

Publications

Parthenios J., Androulidakis C., Koukaras Emmanouil, Tsoukleri G., Sfyris D., Papangelis (Papagelis) Konstantinos, Galiotis C. . (2015) . Compression behaviour of graphene flakes of various thicknesses embedded in polymer matrices . Proceeding of the 20th International Conference on Composite Materials . 20th International Conference on Composite Materials . Επιμέλεια:Ole Thybo Thomsen, Christian Berggreen and Bent F Sørensen . Copenhagen - Denmark . Fredrik Bajers Vej 5, 9100 Aalborg, Denmark . Aalborg University

Zdetsis Aristides D., Koukaras Emmanouil . (2012) . Theoretical study of Si20Li20 cage cluster . AIP Conference Proceedings . International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 . Rhodes, Greece . AIP . Vol.1504 p.683-686

Koukaras Emmanouil, Zdetsis A. D., Maroulis George, Simos Theodore E. . (2009) . Multidecker Stacking and Cluster Fusion of Silicon-Carbon Clusters . AIP Conference Proceedings . Computational Methods in Science and Engineering: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) . Hersonissos, Crete (Greece) . AIP . Vol.1148 no.2 p.368-371
Koukaras Emmanouil, Garoufalis C. S., Zdetsis A. D., Maroulis George, Simos Theodore E. . (2009) . Elastic Properties of Ultra-Thin Hydrogenated Silicon Nanowires Based on all Electron Mixed ab initio and Semiempirical Calculations . AIP Conference Proceedings . Computational Methods in Science and Engineering: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) . Hersonissos, Crete (Greece) . AIP . p.376-379
Koukaras Emmanouil, Mühlhäuser M., Zdetsis A. D., Maroulis George, Simos Theodore E. . (2009) . A Systematic Way for Obtaining the Structural and Electronic Properties of Silicon-Carbon Clusters of the Form Si[sub n]C[sub 2], n = 1–5 . AIP Conference Proceedings . COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science: Lectures presented at the International Conference on Computational Methods in Sciences and Engineering 2008 (ICCMSE 2008) . Hersonissos, Crete (Greece) . AIP . Vol.1148 no.1 p.384-387

Zdetsis A. D., Koukaras Emmanouil, Garoufalis C. S. . (2008) . Novel effects in finite-length silicon nanowires . Physica Status Solidi (A) Applications and Materials Science . vol.205 no.11 p.2625-2629

Koukaras Emmanouil, Zdetsis Aristides D., Simos Theodore E., Maroulis George . (2007) . Electronic and Structural Properties of M@Si[sub 12] and M@Si[sub 12]H[sub 12] Clusters, M = Ni, Zn . AIP Conference Proceedings . Computational methods in Science and Engineering: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): Vol. 1 . AIP . p.395-398
Koukaras Emmanouil, Zdetsis A. D., Garoufalis C. S., Simos Theodore E., Maroulis Apostolos . (2007) . High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study . AIP Conference Proceedings . Computational Methods in Science and Engineering: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): Vol. 1 . AIP . p.375-378

Koukaras Emmanouil, Garoufalis C. S., Zdetsis A. D. . (2006) . Ab initio study of optical and electronic properties of silicon and germanium nanowires . Recent progress in computational sciences and engineering . International Conference on Computational Methods in Science and Engineering . Επιμέλεια:Theodore Simos and George Maroulis . Chania, Crete Island - Greece . Leiden . VSP . p.1174-1177
Koukaras Emmanouil, Garoufalis C. S., Zdetsis A. D. . (2006) . Ab initio study of electronic and structural properties of the Ni@Si-10 cluster . Recent progress in computational sciences and engineering . International Conference on Computational Methods in Science and Engineering . Επιμέλεια:Theodore Simos and George Maroulis . Chania, Crete Island - Greece . Leiden . VSP . p.1182-1185
Zdetsis A. D., Koukaras Emmanouil, Garoufalis C. S. . (2006) . A comparative DFT and MPn study of isoelectronic [Co@Si-12](-1), [Ni@Si-12] and [Cu@Si-12](+1) clusters . Recent progress in computational sciences and engineering . International Conference on Computational Methods in Science and Engineering . Επιμέλεια:T. Simos and G. Maroulis . Chania, Crete Island - Greece . Leiden . VSP . p.1178-1181

Koukaras Emmanouil, Garoufalis C. S., Zdetsis A. D. . (2005) . Structural and electronic properties of the Ni@Si-12 nanocluster . Advances in computational methods in sciences and engineering 2005 : selected papers from the International conference of computational methods in sciences 2005 (ICCMSE 2005) . International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) . Επιμέλεια:Theodore Simos and George Maroulis . Corinth - Greece . Leiden . VSP . vol.4A p.1492-1495
Zdetsis A. D., Garoufalis C. S., Koukaras Emmanouil . (2005) . Optical and electronic properties of mixed SiGe: H nanocrystals . Advances in computational methods in sciences and engineering 2005 : selected papers from the International conference of computational methods in sciences 2005 (ICCMSE 2005) . International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) . Επιμέλεια:Theodore Simos and George Maroulis . Corinth - Greece . Leiden . VSP . vol.4A p.1488-1491

Updated: 2026-04-11

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Curriculum Vitae

Emmanouil Koukaras

Courses of Winter semester of 2025–26 academic year

Courses of Spring semester of 2025–26 academic year

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