CV

Education

Aristotle University of Thessaloniki

Department of Chemistry

MSc in Molecular Design and Modeling  

2022 – Present  

International Hellenic University of Thessaloniki

Department of Food Technology

BSc in Food Technology  

2015 – 2019  

Grade: 7.78/10 (Very Good)  

Aristotle University of Thessaloniki 

Department of Chemistry* 

BSc in Chemistry  

2010 – 2014  

Grade: 7.43/10 (Very Good)  

Thesis

"Effect of Thymol, Carvacrol, and Cinnamaldehyde on the Polymerization Reaction of Polymethyl Methacrylate"  

Supervisor: Dimitrios Achilias | Grade: 10/10 (Excellent)  

Work /Experience

Freelance Chemistry Teacher 

2017 – Present  

- Provides personalized tutoring in Chemistry to high school students, focusing on enhancing understanding and academic performance.  

- Prepares students for exams through tailored study plans and targeted practice.  

Chemist (Quality Control Section)

Bee Cera, Laboratory of Natural Cosmetics Based on Beeswax

June 2023 – December 2023  

- Oversaw cosmetic product notifications in compliance with international quality standards.  

- Conducted rigorous physicochemical and microbiological analyses of raw materials and final products.  

Chemist (Quality Control Section)

E.I. Papadopoulos S.A.,Biscuit and Food Products Manufacturing Company 

February 2022 – May 2022  

- Performed comprehensive chemical and microbiological testing on raw materials and products.  

- Ensured adherence to critical control points within the facilities and equipment.  

Chemist (Quality Control Section)  

Condito S.A., Mustard, ketchup, mayonnaise, and salads production, distribution, and packaging of. 

February 2021 – January 2022  

- Conducted physicochemical and microbiological tests, ensuring traceability and quality control.  

- Developed and documented detailed specifications for final products.  

Chemist (Quality Control Section)

Trofotechniki S.A., Food Company for Professional Kitchens 

July 2020 – December 2020  

- Coordinated order management and scheduling to optimize workflow.  

- Engaged in research and development of innovative products and production processes.  

Chemist (Quality Control Section)

Hellenic Catering S.A., Foodservice Company 

April 2019 – October 2019  

- Monitored compliance with raw material specifications and labeling standards. 

- Assessed and established critical control points and operational limits to ensure product quality.  

Languages

- English:Good proficiency (B2)  

Key Skills

Professional Skills 

- Expertise in UV-Vis Spectrophotometry  

- Proficient with Farinograph, Alveograph, and Rancimat instruments  

IT Skills  

- Proficient in Microsoft Office Suite: Word, PowerPoint, Excel, Outlook  

- Experience with statistical analysis using Minitab  

- Basic knowledge of Molecular Dynamics Simulation Software: AMBER  

- Basic programming skills in Python 3  

- Familiarity with ERP Systems: SoftOne, SAP  

EDUCATION

1996 BSc in Physics, Dept. of Physics, University of Patras.

1998 MSc in Mathematical & Computational Physics, Dept. of Physics, University of Patras.

2003 PhD in Physics, Dept. of Physics, University of Patras 

Research field:   Materials Science - Computational Physics – Quantum Chemistry: Theoretical study of electronic and optical properties of silicon quantum dots.

ACADEMIC CAREER

2003 - 2008             Post doctoral researcher in the faculty of theoretical and mathematical Physics at       the Dept. of Physics, University of         Patras.

2009 - 2012             Lecturer (fixed term) at the dept. of Materials Science of the University of    Patras.

2010 - 2018             Assistant Professor (fixed term)  at the Dept. of Environmental Technology, Technological Institute of Ionian Islands

2018 -                     Assistant professor at the Dept. Of Materials Science of the University of Patras, 

                               Greece.

2024 -                     Associate professor at the Dept. Of Materials Science of the University of Patras, 

                               Greece

PUBLICATIONS IN PEER REVIEWED JOURNALS

67 Li, Yaobo; Min, Jingjing ; Jiang, Yifan; Dong, Tieshuan; Xu, Dangdang; Feng, Zhenzhen; Yan, Yuli; Garoufalis, Christos; Baskoutas, Sotirios; Shen, Huaibin; Zeng, Zaiping, "Rational design of tetrahedral derivatives as efficient light emitting materials based on ``super atom" perspective", accepted for publication in Nano Letters

66 F. I. Michos, A. G. Chronis, C. S. Garoufalis, M. M. Sigalas, “Optical properties of Cu, Ag, and Au nanoparticles with different sizes and shapes”, Appl. Res. 2024, e202300101

65 Jingjing Min, Jingwen Zhai, Tieshuan Dong, Dangdang Xu, Yuli Yan, Christos S. Garoufalis, Sotirios Baskoutas, Zaiping Zeng and Yu Jia, ”Design principle for tetrahedral semiconductors and their functional derivatives: cation stabilizing charged cluster network”, Nano Lett. 2023, 23, 4648−4653

64 Jingwen Zhai, Tieshuan Dong, Yamei Zhou, Jingjing Min, Yuli Yan, Christos S. Garoufalis, Sotirios Baskoutas, Dangdang Xu, and Zaiping Zeng, ”Efficient bandedge emission from indirect-bandgap semiconductor quantum dots upon shell engineering”, Nano Lett. 2023, 23, 8, 3239–3244

63 Alexandros Barnasas, Christos S. Garoufalis, Dimitrios I. Anyfantis, Panagiotis Poulopoulos and Sotirios Baskoutas ”On the Quantum Confinement Effects in Ultrathin PdO Films by Experiment and Theory”, Materials 2022, 15(23), 8700

62 Yamei Zhou, Christos S. Garoufalis, Sotirios Baskoutas, Zaiping Zeng, and Yu Jia, ”Twisting Enabled Charge Transfer Excitons in Epitaxially Fused Quantum Dot Molecules”, Nano Lett. 2022, 22, 12, 4912–4918

61 Jingjing Min, Ying Zhang, Yamei Zhou, Dangdang Xu, Christos S. Garoufalis, Zaiping Zeng,Huaibin Shen, Sotirios Baskoutas, Yu Jia, and Zuliang Du, ”Size Engineering of Trap Effects in Oxidized and Hydroxylated ZnSe Quantum Dots”, Nano Lett. 2022, 22, 9, 3604–3611

60 N. Arnaoutakis, A. P. Vouros, M. Milousi, Y. G. Caouris, G. Panaras, A. Tourlidakis, K. Vafiadis, G. Mihalakakou, C. S. Garoufalis, Z. Frontistis, S. Papaefthimiou and M. Souliotis ”Design, Energy, Environmental and Cost Analysis of an Integrated Collector Storage Solar Water Heater Based on Multi- Criteria Methodology”, Energies 2022, 15, 1673 (2022)

59 Christos S. Garoufalis, Zaiping Zeng, Gabriel Bester, Iosif Galanakis, David Hayrapetyan, Emmanuel Paspalakis, and Sotirios Baskoutas, ”Excitons in ZnO Quantum Dots: The Role of Dielectric Confinement”, Journal of Physical Chemistry C 126(5), pp. 2833-2838 (2022)

58 Structural and electronic properties of small perovskite nanoparticles of the form ABX 3 (A = M A, DEA, FA, GA, B = Pb, Sn, X = Cl, Br, I ) C. S. Garoufalis, I. Galanakis, Z. Zeng, D. B. Hayrapetyan and S. Baskoutas, Electron. Mater. 2021, 2(3), 382-393.

57 A. Barnasas, C.S. Garoufalis, D.I. Anyfantis, N. Bouropoulos, P. Poulopoulos, and S. Baskoutas, ”Quantum confinement effects of thin Co₃O₄ films”, Atoms 2021, 9, 70.

56 Pingping Han, Jingjing Min, Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas, Yu Jia, and Zuliang Du, ”Excitonic characteristics of blue-emitting quantum dot materials in group II-VI using hybrid time-dependent density functional theory”, accepted in Phys.Rev B 2021

55 M.Beaula Ruby Kamalam, S.S.R.Inbanathan, K.Sethuraman, Ahmad Umar, Hassan Algadi, Ahmed A.Ibrahim, Qazi Inamur Rahman, Christos S.Garoufalis, Sotirios Baskoutas, ”Direct sunlight-driven enhanced photocatalytic performance of V2O5 nanorods/ graphene oxide nanocomposites for the degradation of Victoria blue dye”, Environmental Research, 111369, 2021

54 Anurag Jaswal, Manjot Kaur, Surinder Singh, Sushil Kumar Kansal, Ahmad Umar, Christos S. Garoufalis and Sotirios Baskoutas, ”Adsorptive removal of antibiotic ofloxacin in aqueous phase using rGO-MoS2 heterostructure”, Journalof Hazardous Materials Volume 417, 125982, 2021 

53 A.G.Chronis, E.Karantagli, F.I.Michos, Christos S.Garoufalis, M.M.Sigalas, ”Exotic nanoparticles of group IV monochalcogenides as anode materials for Li-Ion batteries”, Solid State Communications 332 (2021) 114326

52 A. Chronis, F. I. Michos, C.S. Garoufalis and M. M. Sigalas, ”Structural and Optical properties of Be, Mg and Ca nanorods and nanodisks”, Physical Chemistry Chemical Physics, 2021, 23, 1849 – 1858

51 N. C. Diamantopoulos, A.Barnasas, C. S. Garoufalis, D. I. Anyfantis, N. Bouropoulos, P. Poulopoulos,and S. Baskoutas, ”Band Gap Measurements of Nano-Meter Sized Rutile Thin Films”, Nanomaterials, 10, 2379 (2020).

50 Xiaoyu Ma,Jingjing Min,Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas, Yu Jia, and Zuliang Du, ”Excitons in InP, GaP, GaInP quantum dots: Insights from time-dependent density functional theory”, Phys. Rev. B 100(24),245404 (2019).

49 A. Barnasas, N. Kanistras, A. Ntagkas, D.I. Anyfantis, A. Stamatelatos, V. Kapaklis,N. Bouropoulos, E. Mystiridou, P. Poulopoulos, C.S. Garoufalis and S. Baskoutas, ”Quantum confinement effects of thin ZnO films by experiment and theory”, Physica E: Low-Dimensional Systems and Nanostructures 120,114072 (2020).

48 Garoufalis, C.S., Zeng, Z., Bester, G.,Hayrapetyan, D.B., Baskoutas, S. ”Optical properties of zig-zag and armchair ZnO colloidal nanoribbons”, Chem. Phys. Lett. 732,136659 (2019).

47 E. Karantagli, M. M. Sigalas and C. S. Garoufalis ”Exotic nanoparticles of group IV monochalcogenides”, Solid State Communications 295, pp. 38-42 (2019).

46 A. Koliogiorgos, C. S. Garoufalis, I. Galanakis, and S. Baskoutas ”Electronic and optical properties of ultrasmall ABX 3 (A = Cs, CH 3 N H 3 , B = Ge, Pb, Sn, Ca, Sr, X = Cl, Br, I) perovskite quantum dots”, ACS Omega 2018, 3, 18917−18924.

45 Z. Zeng, C. S. Garoufalis, S. Baskoutas, Yu Jia and G. Bester ”Realization of linearly polarized exciton emission in wurtzite quantum dots”, Phys. Rev. B 98, 235410 (2018).

44 M.Souliotis C. S. Garoufalis ”Optical study of twin-tanked ICS solar heaters combined with asymmetrical CPC type reflectors”, Int J Energy Res. 2018;1–12 

43 C. S. Garoufalis, A. Barnasas, A. Stamatelatos, V. Karoutsos, S. Grammatikopoulos, P. Poulopoulos and S. Baskoutas ”A Study of Quantum Confinement Effects in Ultrathin NiO Films Performed by Experiment and Theory”, Materials, 11, 949, 2018.

42 D. A. Badounas, M. Souliotis, and C. S. Garoufalis ”Theoretical Study of Linear and Nonlinear Properties of ZnO/MgO Core/Shell and Inverted Core/Shell Quantum Dots”, Journal of Advanced Physics Vol. 6, pp. 1–5, 2017.

41 Sotirios Baskoutas, Zaiping Zeng, Garoufalis, Christos, and Gabriel Bester, ”Morphology control of exciton fine structure in polar and nonpolar zinc sulfide nanorods” Sci Rep. 2017; 7: 9366. 

40 Garoufalis, Christos; Poulopoulos, Panagiotis; Bouropoulos, Nikolaos; Barnasas, Alexandros; Baskoutas, Sotirios, ”Growth and optical properties of Fe2O3 thin films: A study of quantum confinement effects by experiment and theory”, Physica E: Low-dimensional Systems and Nanostructures, 89, (2017), Pages 67-71.

39 Zaiping Zeng, C. S. Garoufalis and S. Baskoutas, “Nonlinear optical absorption in colloidal CdS quantum dots: The role of dielectric environment ”, Journal of Nanoelectronics and Optoelectronics 11 (5), 615-619.

38 C. S. Garoufalis, I. Galanakis, “Multilayer heterostructures of magnetic Heusler and binary compounds from first principles” Journal of Magnetism and Magnetic Materials 401 (2016) 138–143.

37 Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas and Gabriel Bester, “Excitonic optical properties of wurtzite ZnS quantum dots under pressure”, J. Chem. Phys. 142, 114305 (2015).

36 Zaiping Zeng, Alexia Petoni, Christos S. Garoufalis, Sotirios Baskoutas, Gabriel Bester, ”Near-band-edge exciton polarization change in ZnO nanowires”,Phys. Chem. Chem. Phys., 17 (2), 1197 – 1203 (2015).

35 Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas, ”Linear and nonlinear optical susceptibilities in a laterally coupled quantum-dot-quantum-ring system”, Physics Letters A 378, 2713 (2014).

34 Zeng, Z., Garoufalis, C., Baskoutas, S. ”New Insights in the Excitonic Emission of ZnS Colloidal Quantum Dots”, The Journal of Physical Chemistry C 118, 10502 (2014).

33 Zaiping Zeng, George Gorgolis, Christos S. Garoufalis, and Sotirios Baskoutas, ”Competition Effects of Electric and Magnetic Fields on Impurity Binding Energy in a Disc-Shaped Quantum Dot in the Presence of Pressure and Temperature”, Science of Advanced Materials 6 (3), 586-591 (2014).

32 Zaiping Zeng, Christos S. Garoufalis, Andreas F. Terzis, and Sotirios Baskoutas, ”Linear and nonlinear optical properties of ZnO/ZnS and ZnS/ZnO core shell quantum dots: effects of shell thickness, impurity and dielectric environment”, J. Appl. Phys. 114, 023510 (2013).

31 Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas and Gabriel Bester, ” Electronic and optical properties of ZnO quantum dots under hydrostatic pressure”, Phys. Rev. B 87, 125302 (2013).

30 Z. Zeng, E. Paspalakis, C. S. Garoufalis, A. F. Terzis and S. Baskoutas ”Optical Susceptibilities in Singly Charged ZnO Colloidal Quantum Dots Embedded in Different Dielectric Matrices”, J. App. Phys. 113, 054303 (2013).

29 Sotirios Baskoutas, Zaiping Zeng, Christos S. Garoufalis and Gabriel Bester, ”Tuning of the Optical Emission Polarization of ZnO Nanorods by an applied Hydrostatic Pressure”, J. Phys. Chem C, 116 (50) , pp. 26592-26597 (2012). 

28 Yashar Azizian-Kalandaragh, Ali Khodayari, Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas, Lionel Cervera Gontard, ”Strong quantum confinement effects in SnS nanocrystals produced by ultrasound-assisted method”, J. Nanoparticle Research, 15:1388 (2013).

27 Zaiping Zeng, Christos S. Garoufalis, Sotirios Baskoutas and Andreas F. Terzis, ”Tuning the Donor Binding Energy in Semiconductor Nanostructures by a Tilted Magnetic Field”, J. App. Phys 112, 064326 (2012).

26 Zaiping Zeng, C. S. Garoufalis, S. Baskoutas and A. F. Terzis ”Stark Effect of Donor Binding Energy in a Self-assembled GaAs/AlGaAs Quantum Dot Subjected to a Tilted Electric Field”, Phys. Lett. A 376 (42-43) , pp. 2712-2716 (2012).

25 Zaiping Zeng, Christos S. Garoufalis, and Sotirios Baskoutas, ”Combination effects of tilted electric and magnetic fields on donor binding energy in a GaAs/AlGaAs cylindrical quantum dot”, J. Phys. D 45, 235102 (2012).

24 S. Baskoutas, C.S. Garoufalis, A.Terzis, “Linear and non linear absorption coefficients and refraction index changes in a single and double inverse parabolic quantum well”, Eur. Phys. J. B 84, 241–247 (2011).

23 P. Poulopoulos, S. Baskoutas, S.D. Pappas, C.S. Garoufalis, S.A. Droulias, A. Zamani and V. Kapaklis, ”Intense quantum confinement effects in Cu 2 O thin films” J. Phys. Chem. C 115 (30), pp 14839–14843 (2011).

22 C S Garoufalis, ”Oxygen terminated Goldberg-type Si quantum dots as candidates for stable Si fullerene-like cages” J. Comp. Th. Nanoscience Vol. 8, 2279–2284, 2011.

21 George D. Panagiotou, Theano Petsi, John Stavropoulos, Christos S. Garoufalis, Kyriakos Bourikas, Christos Kordulis, Alexis Lycourghiotis, “Elucidation of the surface configuration of the Co(II) and Ni(II) aqua complexes and of the Cr(VI),  Mo(VI) and W(VI) monomer and polymer oxo-species deposited on the titania surface during impregnation.”, Stud. Surf. Sci. Catal., 175, 117-125 (2010).

20 C. S. Garoufalis and A. D. Zdetsis “Optical properties of ultra small Si nanoparticles: potential role of surface reconstruction and oxygen contamination” J. Math. Chem. (2009) 46:952–961.

19 A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis, “A parallel study of Ni@Si12  and Cu@Si12 nanoclusters” J Math Chem (2009) 46:971–980.

18 A. D. Zdetsis, C. S. Garoufalis and E. N. Koukaras “Mixed silicon–germanium nanocrystals: a detailed study of Si x Ge 47−x : H”, J. Math. Chem. (2009) 46:942–951.

17 C. S. Garoufalis, “Optical gap and excitation energies of small Ge nanocrystals”, J. Math. Chem. (2009) 46:934–941. 

16 K. Bourikas, G Stayropoulos C. S. Garoufalis, T. Petsi C. Kordulis, and A.Lycourghiotis, “Interfacial Impregnation Chemistry in the Synthesis of Nickel Catalysts Supported on Titania”, Chemistry A European Journal, 17, 1201-1213, (2011).

15 E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, “Elastic properties of ultra-thin hydrogenated silicon nanowires based on all electron mixed ab initio and semiempirical calculations”, AIP Conf. Proc. 1148, 376 (2009).

14 T. Petsi, G. D. Panagiotou, C. S. Garoufalis, C. Kordulis, P. Stathi, Y. Deligiannakis, A. Lycourghiotis and K. Bourikas, “Interfacial Impregnation Chemistry in the Synthesis of Cobalt supported Titania Catalysts”, Chemistry A European Journal, Volume 15 Issue 47, Pages 13090 - 13104 (2009).

13 A. D. Zdetsis , E. N. Koukaras and C. S. Garoufalis, “Novel effects in finite-length silicon nanowires”, Physica Status Solidi (a), Volume 205 Issue 11, Pages 2625 -2629 (2008)

12 G. D. Panagiotou, T. Petsi, K. Bourikas, C. S. Garoufalis, A. Tsevis, N. Spanos, C. Kordulis, and A. Lycourghiotis, “Mapping the surface (hydr) oxo – groups of titanium oxide and its interface with an aqueous solution: the state of the art and a new approach”, Adv Colloid Interface Sci., 142(1-2):20-42 (2008)

11 E. N. Koukaras, A. D. Zdetsis and C. S. Garoufalis, ”High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study”, AIP Conf. Proc. 963, 375 (2007).

10 G. D. Panagiotou, T. Petsi, J. Stavropoulos, K. Bourikas, C. S. Garoufalis, C. Kordulis, A. Lycourghiotis, “Towards the local structure of the Co(II), Ni(II), Cr(VI) and W(VI) ionic species formed upon impregnation on titania”, Stud. Surf. Sci. Catal. 162, 809 (2007)

09 D. Xenides and C. S. Garoufalis, “Electric polarizabilities of C_xSi_4−x (0 ≤ x ≤ 4) clusters. A conventional and Time-Dependent Density Functional study”, J. Comp. Methods in Science and Engineering, 7 (2007) 287–296.

08 Α. D. Zdetsis , E. N. Koukaras and C. S. Garoufalis, “Structural Properties and Magic Structures in Hydrogenated Finite and Infinite Silicon Nanowires”, App. Phys. Lett. 91, 203112, (2007)

07 E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis “Structure and properties of the N i@Si 12 cluster from all-electron ab initio calculations”, Phys. Rev. B, 73, 235417 (2006)

06 C. S. Garoufalis and A. D. Zdetsis “High accuracy calculations of the optical gap and absorption spectrum of oxygen contaminated Si nanocrystals” Phys. Chem. Chem Phys. 8 (7), pp. 808-813 (2006)

05 A. D. Zdetsis, C. S. Garoufalis and Stefan Grimme, “ Real Space Ab Initio Calcula-tions of Excitation Energies in Small Silicon Quantum Dots”, NATO Advanced Research Workshop on ”Quantum Dots: Fundamentals, Applications, and Frontiers” Crete 2003, (invited paper) B. A. Joyce et al. (eds.), 317-332, Kluwer- Springer (2005).

04 Zdetsis, A.D., Garoufalis, C.S., Skaperda, M.S., Koukaras, E.N. “Variation and adjustment of the optical gap of small Si nanocrystals by partial substitution of Si with Ge”, (2005) Journal of Physics: Conference Series, 10 1, Pages 101-104.

03 Garoufalis, C.S., Skaperda, M.S., Zdetsis, A.D. “The optical gap of small Ge nanocrystals”, (2005) Journal of Physics: Conf. Series, 10 1, Pages 97-100.

02 Garoufalis, C.S., Zdetsis, A.D. “Real space optical gap calculations in oxygenated Si nanocrystals”, (2005) Journal of Physics: Conf. Series, 10 1, Pages 69-72

01 C. S. Garoufalis, A. D. Zdetsis and S. Grimme “High Level Ab Initio Calculationsof the Optical Gap of Small Silicon Quantum dots” Phys. Rev. Lett. 87, 276402-1 (2001)

CONTACT INFORMATION

Assoc. Prof. Christos S. Garoufalis

Department of Materials Science

University of Patras, Greece

e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.

Tel: (+30) 2610 997769

www: https://www.matersci.upatras.gr/en/people/faculty/garoufalis

George Emmanouilidis BSc, AMRSC

Research Assistant – MSc Student in Quantum & Computational Chemistry  

Birth date/area: 24/12/1999 / Veria, Greece

Nationality: Greek

Mobile phone: +306977120209

E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it., This email address is being protected from spambots. You need JavaScript enabled to view it.

ORCID: https://orcid.org/0000-0003-4251-941X

LinkedIn: http://www.linkedin.com/in/george-emmanouilidis-37b8101b2

Currently at: Veria & Thessaloniki, Greece

Education

• MSc Quantum & Computational Chemistry – AUTh                  | Oct 2022 - Today

Grade: 10/10 (still studying)

Thesis: “Exotic chemistry of interstellar matter”

Selected 1^st out of 9 candidates. Master of Science Degree with emphasis in Quantum & Computational Chemistry. I’m currently working in the Laboratory of Quantum and Computational Chemistry (QCCL) at AUTh under the supervision of Professor Emmanuel N. Koukaras. We are currently providing our research propose for Greece 2.0 funding program provided by H.F.R.I.

• BSc Chemistry (Honors) – AUTh                                               | Oct 2017 - Sep 2022  

Field: Theoretical & Computational Chemistry | Quantum Chemistry | Biochemistry & Organic synthesis

Grade 8.53/10 “Hons” (Greek system) or GPA: 3.42/4.00 (Total of 247 ECTS)

Received "Award of excellence" for my excellent performance during my university studies.

Diploma Thesis: “Group 14 semiconductor quantum dots:  Computational study of the effect of surface passivation and functional groups on electronic and optical properties” (Grade 10/10 “Excellent”)

Through my undergraduate years I extended my thesis work, while attending my Research Traineeship at IPREM/CNRS.

Worked in the Laboratory of Quantum and Computational Chemistry (QCCL) / Aristotle University of Thessalonikiunder the supervision of Professor Emmanuel N. Koukaras.

·      National Certificate of didactic and pedagogical competence                                   | June 2022 

Teaching license, obtained after attendance and successful examination of special courses through my undergraduate studies.

·      High School Diploma - 3^d Public High School of Veria                                               | May 2017  

Graduation Diploma “summa cum laude”: 19.6/20 “With Highest Honors” (GPA: 3.92/4.00)

Coordination: Physical Sciences

Award for graduating with highest grade among my classmates: Grade 19.6/20 (GPA: 3.92/4.00)

Research & Teaching experience

• Researcher at Ultralubrico 2D project     | Jan 2024-Today

SuperLubricity of 2D materials / Quantum & Computational Chemistry Lab / Aristotle University of Thessaloniki, Greece 

I work under the supervision of Professor Emmanuel N. Koukaras. The project aims to conduct cutting-edge research in the promising field of superlubricity of 2D materials.

• Researcher as a MSc student              | Dec 2021-Today

Computational Chemistry / Aristotle University of Thessaloniki, Greece 

I work under the supervision of Professor Emmanuel N. Koukaras. We are currently aiming on data analysis and the scientific interpretation of our research results, to publish a paper with the work of my BSc thesis. Our research focused on the optic-electronic properties of tiny nanocrystals named quantum dots. We study the effect that creates the addition of different organic groups to the opto-electronic properties of the dots. 

• Founder of the online teaching platform “Meta-morphosis Academy”| Apr 2023-Today

“Meta-morphosis Academy” / Veria, Greece 

I founded a modern online platform where university & high school students can enjoy a variety of teaching and learning programs including live and pre-recorded classes.

• Freelance Physical Sciences tutor              | Dec 2022-Today

Online & Live Teaching / Greece, worldwide 

Actively working as a chemistry & physics tutor, successfully helping university and high school students achieve their academic goals and providing them with support in their presentations. The classes are held mostly online using modern technological tools.

• Physics & Chemistry teacher                          | August 2022 – May 2023 

«Ένα & Όμιλος» private tutoring school / Veria-Imathia, Greece 

Worked as a passionate Physics & Chemistry Teacher of high school students in private tutoring school of my local area. I provided my students with all the necessary skills and knowledge needed, in order to pass their exams, improve their grades and love the physical sciences.

• Participation to 2022 Onassis Science Lectures Series in Physics| July 25-29, 2022

Topic: «Gravitational Waves», Foundation for Research & Technology (FORTH) / Heraklion-Crete, Greece 

Received financial aid for traveling and accommodation expenses, to attend the summer school devoted to gravitational waves. Among the lecturers were the 2017 Nobel laureate Prof. Barry Barrish, Professor Buonanno Alessandra, Barsotti Lisa, Katsavounidis Erik, Evans Matthew and Prof. Harms Jan. An incredible experience that broadened my knowledge in theoretical gravitational physics.

• Research Traineeship – Computational & Quantum Chemistry     | Sep 2021-Oct 2021

CNRS (Centre National de la Recherche Scientifique), IPREM (Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux), UPPA / Pau, France

After completing a part of my BSc thesis and successfully presenting it at the 4th Conference of Chemistry of Postgraduate and Undergraduate Students of AUTh (March 20-21, 2021), with the support of my supervisor Prof. Emmanuel N. Koukaras, I met the researcher Dr. Panagiotis Karamani and extended our theoretical study on new semiconductor quantum dots. I successfully conducted quantum mechanical calculations in systems that contained different forms of surface passivation and core chemical synthesis, mainly in Silicon & Germanium dots.          

Conference Presentations & Posters

• 1^stACC 2023 – Advances and Challenges in Chemistry at AUTh                         |Nov 11-12, 2023 

Aristotle University Research Dissemination Center – “KEDEA”, Thessaloniki

Successful poster presentation of my research work that held in CNRS/IPREM and my thesis. 

• 6^thConference of Chemistry of Postgraduate and Undergraduate Students of AUTh |Nov 11-12, 2023 

Aristotle University Research Dissemination Center – “KEDEA”, Thessaloniki

Successful poster presentation of my research work that held in CNRS/IPREM and my thesis. 

• 5^thConference of Chemistry of Postgraduate and Undergraduate Students of AUTh | April 2-3, 2022 

Aristotle University Research Dissemination Center – “KEDEA”, Thessaloniki

Successfully presented my research work that held in CNRS/IPREM and my thesis, in front of a live audience. 

• 4^thConference of Chemistry of Postgraduate and Undergraduate Students of AUTh March 20-21, 2021, Thessaloniki, Online

Online, Aristotle University of Thessaloniki

Oral presentation of part of my thesis project, in front of an online audience.

Professional experience

• Physics & Chemistry teacher                          | August 2022 – May 2023 

«Ένα & Όμιλος» private tutoring school / Veria-Imathia, Greece 

Worked as a passionate Physics & Chemistry Teacher of high school students in private tutoring school of my local area. I provided my students with all the necessary skills and knowledge needed, in order to pass their exams, improve their grades and love the physical sciences.

• Chemist - Quality Analyst                    | July 2022

«Alexander» – Canning & Fruits Processing Company / Veria-Imathia, Greece

Working on quality control and supervising my workmates in the analytical chemistry lab.

• Summer Internship – Biochemistry & Microbiology    | July 2021-August 2021

Microbiology & bio-diagnostics lab Petros Themelis MD / Veria-Imathia, Greece

Work at a microbiology & bio-diagnostics lab under the supervision of MD Petros Themelis.    

Distinguished for my work ethic, teamwork, analytical & problem-solving skills.

Scientific Publications

• Research work held at CNRS/IPREMand Aristotle University of Thessaloniki, through my thesis project, under preparation, to be submitted for publication at an international scientific journal.
• Summary publication in the Proceedings Internationalscientific issue of my thesis presentation in 4^thConference of Chemistry of Postgraduate and Undergraduate Students of AUTh with title: “Theoretical Study of the Impact of Surface Passivation and Functionalization on Electronic and Optical Properties of Pure Silicon and Germanium Nanocrystals” George Emmanouilidis^{http://ultralubrico2d.chem.auth.gr/f71e0371-a2a5-430b-ab08-2fb7db4fe3c5}" alt="http://library.nwu.ac.za/sites/library.nwu.ac.za/files/files/images/orcid-logo.png" width="12" height="12" />, Emmanuel N. Koukaras*^{http://ultralubrico2d.chem.auth.gr/f71e0371-a2a5-430b-ab08-2fb7db4fe3c5}" alt="http://library.nwu.ac.za/sites/library.nwu.ac.za/files/files/images/orcid-logo.png" width="12" height="12" />

Memberships of Science Societies

• Royal Society of Chemistry 

Associate Member of Royal Society of Chemistry                                                                      2023-today

Student Member                                                                                                                           2020 – 2022

• Greek Chemist Society                       (Starting on December 2022)                                                                           

Additional skills-knowledge

• IT skills– Proficiency level – Vellum Global Cambridge Certifications
• Data Analysis Skills – Advanced level - Origin, Microsoft Excel 
• Video editing – Advanced level – Filmora9, Windows Movie Maker
• Programming skills – Entry level – HTML 5, python
• Social Media Platforms– Advanced skills – YouTube, Instagram, TikTok, LinkedIn
• Photo editing skills – Advanced level - Adobe Photoshop
• Photography– excellent skills at amateur level
• Certified Personal Trainer- by National Academy of Sports and Medicine of USA-NASM

Languages

• Greek:native language 
• English:C2 Level | CertifiedProficiency in English | Michigan State University - Excellent verbal and written communication 
• French:Entry level knowledge of the language 

Additional education-lectures-seminars

• Online Workshop on Computational Materials Science 
• Educational Seminars by Institute of Nanoscience and Nanotechnology(INN) of C.S.R. Demokritos with title:
• Spectroscopy days
• Microscopy techniques: Theory & Applications
• Attending online classes on MOOC Platform “Mathesis” by University of Crete 

Conferences & summer schools

• 56^thNational Center for Scientific Research “Demokritos” Greece                    | July 2021

Summer School 2021 (held online): Certificate of Attendance  

• 55^thNational Center for Scientific Research "Demokritos"​ Greece                          | July 2020

Summer School 2020 (held online): Certificate of attendance  

• 18th National Congress-Greek Society of Clinical Chemistry/Biochemistry    | October 2020

Certificate of attendance 

• Hellenic Bioinformatics Conference                       | November 2018 

Certficate of attendance

Awards & Praises

Academic awards

• “Award of excellence" for my excellent performance during my university studies | Greek Chemists Society
• Awarding praise for graduating with highest grade among my classmates in high school: Grade 19.6/20 (GPA: 3.92/4.00) “Summa cum laude” | 3^rdPublic High School of Veria

General awards

• Award in photography contestheld by the Veria’s Central Public Library. Name of the contest “Veria moments in the city” - 2022

Awards in Mathematical competitions through my school years

• Awarding Praise for my performance in the national mathematical competition “Θαλής”by Hellenic Mathematical Society- 2017
• Awarding Praise for my performance in the national mathematical competition “Θαλής” by Hellenic Mathematical Society - 2014
• Awarding Praise for my performance in the mathematical competition “Καραθεοδωρής” (final stage) by Hellenic Mathematical Society Department of Imathia Prefecture - 2012
• Awarding Praise for my performance in the mathematical competition “Υπατία” (1st stage) by Hellenic Mathematical Society Department of Imathia Prefecture - 2012
• Awarding Praise for my performance in the 5th national student mathematical competition “Παιχνίδι και Μαθηματικά” by Hellenic Mathematical Society - 2011
• Awarding Praise for my performance in the 4th national student mathematical competition “Παιχνίδι και Μαθηματικά” by Hellenic Mathematical Society – 2010

Experience in research university student teams

• Beyond Earth Aristotle Missions Team – Science Division     August 2020-May 2021

Participant in the Rexus-Bexus experiment under a bilateral Agency Agreement between the German Aerospace Center (DLR) and the Swedish National Space Agency (SNSA) in collaboration with the European Space Agency (ESA).  

Our team has the ambition to participate in the REXUS/BEXUS experiment competition in November 2021. We were working in the project idea the last two months, and I have created a sub-team in which, we were aiming to conduct a biological experiment with cancer cells in microgravity conditions. I collected as much data and information possible, and I met my university professors to tutor us in many aspects of the experiment. 

Volunteering Experience

• Aristotle Space & Aeronautics Team(ASAT) AuthJuly 2019-November 2019

As a member of the marketing section, I participated in different events contributing with my skills in photography.

• Re-Action Auth               October 2018- October 2019

One year in this team full of experiences! I made lots of friends, met new people and learned a lot of stuff such as presenting myself to other people, communicating science and evolving my skills like experiment presentations, event organization and teamwork. We visited various institutions related to our science and held public education events about chemistry and natural sciences in general in the city of Thessaloniki. We also organized weekend conferences on subjects relative to chemistry science.

• Public action “Sunday at Auth”

Hobbies & Interests

Research in natural sciences, Astronomy, Astrophysics, Cosmology, Chemistry, Biochemistry, Physics, Math, Biology, Photography, Image editing, Fitness, Astrophotography, Cycling, Hiking, Continuous learning & Self improvement

Athletic Background in amateur & atomic level

• Natural Bodybuilding

Atomic Amateur level

• Football 

Local and school team

• Basketball

Local team

• Hiking

Letter of recommendation

Available upon request.

Since he obtained his doctoral degree (2010) he has worked as a researcher in the Organic Chemical Technology Laboratory at the Aristotle University of Thessaloniki, and as a contract Lecturer at the Department of Informatics and Computer Technology and Department of Electronics of the Higher Technological Educational Institute of Lamia. His research interests are on the theoretical and computational study of materials through computations from first principles (ab initio), density functional theory (DFT), semiempirical methods, as well as molecular dynamics (ab initio and classical). His current research activities are primarily focused on mechanical, elastic and vibrational properties and spectroscopy of graphene, and also on the design of molecular structures (small molecules and polymers) for organic solar cells, for hydrogen storage, and for targeted drug delivery and controlled drug release.

In 2019 he was elected Assistant Professor of Applied Quantum Chemistry at the School of Chemistry of the Aristotle University of Thessaloniki.

He has published 89 peer reviewed papers in international refereed scientific journals; he has more than 30 participations/contributions in international conferences/workshops/schools. His work has been cited more than 2000 times and has achieved an h-index 24 (Scopus).

Education

University of Patras, Greece
Ph.D., Theoretical Condensed Matter Physics and Computational Material Sciences, May 2010
Dissertation: Theoretical study of silicon based nanoparticles and nanosystems. [PDF] (Greek, 18.5 MB) [COVER] (3.4 MB)
Supervisor: Aristides D. Zdetsis

University of Patras, Greece
M.Sc., Theoretical and Computational Physics, June 2006
Thesis: Theoretical study of semiconductor atomic clusters. Silicon clusters with embedded transition metals. [PDF] (Greek, 3.4 MB)

University of Patras, Greece
B.Sc., Physics, October 2003
Bachelor Thesis: Development of super cell applications in real space.

Work/Research Experience

• 2019, Aug. / Assistant Professor of Applied Quantum Chemistry at the School of Chemistry of the Aristotle University of Thessaloniki (AUTH).
• 2018, Oct.– 2022 / Principal Investigator of the GRAFEL Research Program funded by HFRI/GSRT, at the School of Chemistry of the Aristotle University of Thessaloniki, and previously at the Institute of Chemical Engineering Sciences (ICE-HT) of the Foundation for Research and Technology, Hellas (FORTH).
• 2017, Aug.– 2019, Sept. / Adjunct Academic Staff at the Hellenic Open University / School of Science and Technology.
• 2012, April–2018, May / Researcher at the Institute of Chemical Engineering Sciences (ICE-HT) of the Foundation for Research and Technology, Hellas (FORTH).
• 2011, May–2012, March / Research Associate at Laboratory of Organic Chemical Technology, Department of Chemistry, Aristotle University of Thessaloniki, Greece.
• 2011–2011, July / Visiting Professor (Collaborator) at the Department of Electronics, Higher Technological Educational Institute of Lamia, Greece.
• 2010, Sept.–2011, July / Visiting Professor (Collaborator) at the Department of Informatics and Computer Technology, Higher Technological Educational Institute of Lamia, Greece.
• 2010–2012 / Postdoctoral Research Fellow under the supervision of professor Aristides D. Zdetsis, Department of Physics, University of Patras, Greece.
• 2009–2013 / [First Phase] Technical Architecture and Design of the Molecular Engineering Group's Computer Cluster (based on Rocks 5.2.1, named Coeus) at the Physics Department of the University of Patras. [Second Phase] Network & Systems Administration for the aforementioned cluster.
• 2003–2013 / [First Phase] Technical Architecture and Design of the Molecular Engineering Group's Computer Cluster (BEOWULF named Moly) at the Physics Department of the University of Patras. [Second Phase] Network & Systems Administration for the aforementioned cluster.
• 2000–2001 / Military service; a grand tour of Greece sponsored by the Greek Army. Major stops at the following cities: Korinthos, Feres Evrou, Serres.
• 1993–1997 / Assistant Systems & Network Administrator at the Computer Center of the Physics Department of the University of Patras.

Papers

1. Temperature dependence of phonon energies and lifetimes in single- and few-layered graphene,
   Markos Poulos, Konstantinos Papagelis, Emmanuel N. Koukaras, George Kalosakas, Giorgia Fugallo, and Konstantinos Termentzidis,
   APS Physical Review B 110, 075434 (2024), DOI: 10.1103/PhysRevB.110.075434
2. Nanoarchitectonics of fluorescent gold nanoclusters: A platform for image guided photodynamic therapy of hypoxic tumor,
   Resmi A. N., Sivaselvam S., Rekha C. R., Emilia Papasouli, Jibin Kunnumpurathu, C. S. Praveen, Emmanuel N. Koukaras, Michel Rerat, Panaghiotis Karamanis, Ramapurath S. Jayasree,
   Elsevier Applied Materials Today 39, 102273 (2024), DOI: 10.1016/j.apmt.2024.102273
3. Pillared graphene oxide frameworks for the adsorption and separation of polar protic and aprotic liquid solvents: The cases of pure water, methanol, dimethylsulfoxide and dimethylsulfoxide-water mixtures,
   Ioannis Skarmoutsos, Emmanuel N. Koukaras, and Emmanuel Klontzas,
   AIP Journal of Chemical Physics 160, 184701 (2024), DOI: 10.1063/5.0203165
4. On the Optical Properties of Diamino-Pillared Graphene Architectures,
   Emilia Papasouli, Nicolás Otero, Jacques Desmarais, Hassan Denawi, Demetrios Xenides, Emmanuel Klontzas, Emmanuel Ν. Koukaras, and Panaghiotis Karamanis,
   ACS Journal Physical Chemistry C 127, 6959−6973 (2023), DOI: 10.1021/acs.jpcc.3c00553
5. Covalently linked benzothiadiazole-fullerene adducts for organic optoelectronic devices: synthesis and characterization,
   Divambal Appavoo, Komal Bhardwaj, Samarendra P. Singh, Emmanuel N. Koukaras, Rachana Kumar and Bimlesh Lochab,
   RSC Advances 12, 35977 (2022), DOI: 10.1039/d2ra06175a
6. A Computational Study on Phenyldiboronic Acid-Pillared Graphene Oxide Frameworks for Gas Storage and Separation,
   Ioannis Skarmoutsos, Emmanuel N. Koukaras, and Emmanuel Klontzas,
   ACS Applied Nano Materials 5, 7, 9286–9297 (2022), DOI: 10.1021/acsanm.2c01617
7. Properties of medium hydrogenated beryllium nanoparticles,
   Alexandros G. Chronis, Michael M. Sigalas, François Virot, Marc Barrachin, Emmanuel N. Koukaras, Aristides D. Zdetsis,
   Elsevier Journal of Nuclear Materials 566, 153782 (2022), DOI: 10.1016/j.jnucmat.2022.153782
8. CF₄ Capture and Separation of CF₄−SF₆ and CF₄−N₂ Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal−Organic Frameworks: A Computational Study,
   Ioannis Skarmoutsos, Emmanuel N. Koukaras, and Emmanuel Klontzas,
   ACS Omega 7, 6691–6699 (2022), DOI: 10.1021/acsomega.1c06167 (OPEN ACCESS)
9. Vanillin chitosan miscible hydrogel blends and their prospects for 3D printing biomedical applications,
   Georgia Michailidou, Emmanuel N. Koukaras, Dimitrios N. Bikiaris,
   Elsevier International Journal of Biological Macromolecules 192, 1266–1275 (2021), DOI: 10.1016/j.ijbiomac.2021.10.093
10. The Impact of Ionic Liquid Loading in Three-Dimensional Carbon Nanotube Networks on the Separation of CO₂/CH₄ Fluid Mixtures: Insights from Molecular Simulations,
    Ioannis Skarmoutsos, Emmanuel N. Koukaras, and Emmanuel Klontzas,
    ACS Journal of Physical Chemistry C 125, 24, 13508–13522 (2021), DOI: 10.1021/acs.jpcc.1c00346
11. Impact of prolonged environmental exposure on stress transfer efficiency in Poly(p-phenylene terephthalamide) /epoxy composites,
    George Anagnostopoulos, Emmanuel N. Koukaras, John Parthenios and Costas Galiotis,
    Wiley Polymer Composites 42, 1901–1911 (2020), DOI: 10.1002/pc.25945
12. Dissolution Enhancement and Controlled Release of Paclitaxel Drug via a Hybrid Nanocarrier Based on mPEG-PCL Amphiphilic Copolymer and Fe-BTC Porous Metal-Organic Framework,
    Nikolaos D. Bikiaris, Nina-Maria Ainali, Evi Christodoulou, Margaritis Kostoglou, Thomas Kehagias, Emilia Papasouli, Emmanuel N. Koukaras, Stavroula G. Nanaki,
    MDPI Nanomaterials 10, 2490 (2020), DOI: 10.3390/nano10122490 (OPEN ACCESS)
13. A−DA′D−A Nonfullerene Acceptor Obtained by Fine-Tuning Side Chains on Pyrroles Enables PBDB-T-Based Organic Solar Cells with over 14% Efficiency,
    Chen Yu, Emmanuel N. Koukaras, Yingping Zou, Hemraj Dahiya, Ye Liu, Hui Liu, and Ganesh D. Sharma,
    ACS Applied Energy Materials 3, 11981–11991 (2020), DOI: 10.1021/acsaem.0c02165
14. Doping-Induced Stacking Transition in Trilayer Graphene: Implications for Layer Stacking Manipulation,
    Nikos Delikoukos, Dimitrios Tasis, Antonios Michail, John Parthenios, Emmanuel N. Koukaras, Konstantinos Papagelis,
    ACS Applied Nano Materials 3, 11861–11868 (2020), DOI: 10.1021/acsanm.0c02400
15. Indole-based A-DAD-A type non-fullerene acceptor for high-efficiency organic solar cells over 15% with low energy loss,
    Yu Chena, Rui Cao, Hui Liu, M. L. Keshtov, Emmanuel N. Koukaras, Yingping Zou, Ganesh D. Sharma,
    RSC Sustainable Energy & Fuels 4, 6203–6211 (2020), DOI: 10.1039/D0SE01343A
16. Confinement Effects on the Properties of Polar Hydrogen-Bonded Fluids: A Showcase on Methanol Adsorbed in Three-Dimensional Pillared Graphene and Carbon Nanotube Networks,
    Ioannis Skarmoutsos, Emmanuel N. Koukaras, George Froudakis, Guillaume Maurin, Emmanuel Klontzas,
    ACS Journal of Physical Chemistry C 124, 22959–22971 (2020), DOI: 10.1021/acs.jpcc.0c06289
17. Hierarchy of Nanoscale Graphene Wrinkles on Compliant Substrate: Theory and Experiment,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Krishna Sampathkumar, Jaroslava Rahova, Costas Galiotis, and Otakar Frank,
    Elsevier Extreme Mechanics Letters 100948 (2020), DOI: 10.1016/j.eml.2020.100948
18. Porous carbon nanotube networks and pillared graphene materials exhibiting high SF₆ adsorption uptake and separation selectivity of SF₆/N₂ fluid mixtures: A comparative molecular simulation study,
    Ioannis Skarmoutsos, Emmanuel N. Koukaras, Costas Galiotis, George E. Froudakis, Emmanuel Klontzas,
    Elsevier Microporous and Mesoporous Materials 307, 110464 (2020), DOI: 10.1016/j.micromeso.2020.110464
19. Enhancement of photovoltaic efficiency through fine adjustment of indacene-based non-fullerene acceptor by minimal chlorination for polymer solar cells,
    Mukhamed. L. Keshtov, Sergei. A. Kuklin, Chuandong Dou, Emmanuel N. Koukaras, Rahul Singhal, Prateek Malhotra and Ganesh D. Sharma,
    Wiley Nano Select 1, 320 (2020), DOI: 10.1002/nano.202000027 (OPEN ACCESS)
20. New Donor–Acceptor polymers with a wide absorption range for photovoltaic applications,
    M. L. Keshtov, S. A. Kuklin, I. O. Konstantinov, I. E. Ostapov, Zh. Xie, Emmanuel N. Koukaras, Rakesh Suthar and Ganesh D. Sharma,
    Elsevier Solar Energy 205, 211–220 (2020), DOI: 10.1016/j.solener.2020.05.059
21. Effect of poly(vinyl alcohol) on nanoencapsulation of budesonide in chitosan nanoparticles via ionic gelation and its improved bioavailability for inhaled administration,
    Georgia Michailidou, Nina Maria Ainali, Eleftheria Xanthopoulou, Stavroula Nanaki, Margaritis Kostoglou, Emmanuel N. Koukaras, Dimitrios N. Bikiaris,
    MDPI Polymers 12(5), 1101 (2020), DOI: 10.3390/polym12051101 (OPEN ACCESS)
22. Thermomechanical Response of Supported Hexagonal Boron Nitride Sheets of Various Thicknesses,
    Lambros Seremetis, Emmanuel N. Koukaras, Sotiria Alexandri, Antonis Michail, George Kalosakas, John Parthenios, Costas Galiotis, Sotirios Tsirkas, Spyridon Grammatikopoulos, and Konstantinos Papagelis,
    ACS Journal of Physical Chemistry Part C 124, 12134–12143 (2020), DOI: 10.1021/acs.jpcc.0c01029
23. Cardanol and Guaiacol sourced Solution-Processable Green Small Molecules based Organic Solar Cells,
    Barla Rajkumar, Lubna Khanam, Emmanuel N. Koukaras, Ganesh Sharma, Samarendra Singh, Bimlesh Lochab,
    ACS Sustainable Chemistry & Engineering 8, 5891–5902 (2020), DOI: 10.1021/acssuschemeng.9b07600
24. Tunable macroscale structural superlubricity in two-layer graphene via strain engineering,
    Charalampos Androulidakis, Emmanuel N. Koukaras, George Paterakis, George Trakakis & Costas Galiotis,
    NPG Nature Communications 11, 1595 (2020), DOI: 10.1038/s41467-020-15446-y (OPEN ACCESS)
25. Synthesis and Photovoltaic Properties of New Conjugated D–A Polymers Based on the Same Fluoro‐Benzothiadiazole Acceptor Unit and Different Donor Units,
    Mukhaned L Keshtov, Serge. A. Kuklin, Ionv. O. Konstantinov, Alexei R. Khokhlov, Zhiyuan Xie, Chuandong Dou, Emmanuel N. Koukaras, Rakesh Suthar, Ganesh D. Sharma,
    Wiley ChemistrySelect 5, 853 (2020), DOI: 10.1002/slct.201904353
26. Stress-transfer from polymer substrates to monolayer and few-layer graphenes,
    Ch. Androulidakis, D. Sourlantzis, E. N. Koukaras, A. C. Manikas, and C. Galiotis,
    RSC-Nanoscale Advances 1, 4972–4980 (2019), DOI: 10.1039/C9NA00323A
27. Absorption spectrum of magnesium and aluminum hydride nanoparticles,
    Alexandros G. Chronis, Michael M. Sigalas, Emmanuel N. Koukaras
    Elsevier Materials Chemistry and Physics 228, 244–253 (2019), DOI: 10.1016/j.matchemphys.2019.02.081
28. Sculpturing Graphene Wrinkle Patterns into Compliant Substrates,
    Krishna Sampathkumar, Charalampos Androulidakis, Emmanuel N. Koukaras, Jaroslava Rahova, Karolina Drogowska, Martin Kalbac, Aliaksei Vetushka, Antonin Fejfar, Costas Galiotis and Otakar Frank
    Elsevier Carbon 146, 772–778 (2019), DOI: 10.1016/j.carbon.2019.02.041
29. Ab initio study of medium sized boron doped silicon clusters Si_nB_m, n=11–13, m=1–3,
    E. N. Koukaras,
    RSC Physical Chemistry Chemical Physics (PCCP) 20, 18556 (2018), DOI: 10.1039/c8cp02771d
30. Structural, electronic and mechanical properties of molecularly pillared, 3D nanoporous graphene materials,
    E. Klontzas, G. E. Froudakis, I. Skarmoutsos, K. Galiotis, E. N. Koukaras,
    In proceedings of 12PESXM - 12th Panhellenic Conference on Chemical Engineering, Athens, 29-31 May 2019,
31. Computational modelling of nanoporous materials for sustainable energy and environmental applications,
    I. Skarmoutsos, E. Klontzas, E. Koukaras, G. Maurin,
    In proceedings of 12PESXM - 12th Panhellenic Conference on Chemical Engineering, Athens, 29-31 May 2019,
32. Strained hexagonal boron nitride: phonon shift and Grüneisen parameter,
    Ch. Androulidakis, E. N. Koukaras, M. Poss, K. Papagelis, C. Galiotis, S. Tawfick,
    APS Physical Review B Rapid Communication 97, 241414(R) (2018), DOI: 10.1103/PhysRevB.97.241414
33. Non-Eulerian behavior of graphitic materials under compression,
    Ch. Androulidakis, E. N. Koukaras, M. Hadjinicolaou, C. Galiotis,
    Elsevier Carbon 138, 227–233 (2018), DOI: 10.1016/j.carbon.2018.06.011 (OPEN ACCESS)
34. BODIPY-diketopyrrolopyrrole-porphyrin conjugate Small Molecules for Use in Bulk Heterojunction Solar Cells,
    Leo Bucher, Nicolas Desbois, Emmanuel N. Koukaras, Charles H. Devillers, Subhayan Biswas, Ganesh D. Sharma and Claude P. Gros,
    RSC Journal of Materials Chemistry A 6, 8449–8461 (2018), DOI: 10.1039/C8TA01291A
35. Synthesis and photovoltaic properties of new D-A copolymers based on 5,6-bis(2-ethylhexyl)naphtha[2,1-b:3,4-b’]dithiophene-2,9-diyl] donor and fluorine substituted 6,7-bis(9,9-didodecyl-9H-fluoren-2-yl)[1,2,5]thiadiazolo[3,4-g]quinoxaline acceptor units,
    M. L. Keshtov, I. O. Konstantinov, S. A.Kuklin, A. R. Khokhlov, N. V. Nekrasova, Zhi-yuan Xie, E. N. Koukaras and Ganesh D. Sharma,
    Wiley Journal of Polymer Science, Part A: Polymer Chemistry 56, 1297–1307 (2018), DOI: 10.1002/pola.29011
36. Wrinkling formation in simply-supported graphenes under tension and compression loadings,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Maria Giovanna Pastore Carbone, Maria Hadjinicolaou and Costas Galiotis,
    RSC Nanoscale 9, 18180–18188 (2017), DOI: 10.1039/C7NR06463B
37. Dithienosilole-phenylquinoxaline-Based copolymers with D–A–D–A and D–A Structures for Polymer Solar cells,
    M. L. Keshtov, A.R. Khokhlov, S. A. Kuklin, A. Yu. Nikolaev, E. N. Koukaras, and Ganesh. D. Sharma,
    Wiley Journal of Polymer Science Part A: Polymer Chemistry 56, 376–386 (2017), DOI: 10.1002/pola.28904
38. Wrinkled Few-Layer Graphene as Highly Efficient Load Bearer,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Jaroslava Rahova, Krishna Sampathkumar, John Parthenios, Konstantinos Papagelis, Otakar Frank, and Costas Galiotis,
    ACS Applied Materials & Interfaces 9, 26593–26601 (2017), DOI: 10.1021/acsami.7b07547
39. Polymer Solar Cells Based Low Bandgap A1–D–A2–D Terpolymer Based on Fluorinated Thiadiazoloquinoxaline and Benzothiadiazole Acceptors with Energy Loss Less Than 0.5 eV,
    M. L. Keshtov, D.Y. Godovskiy, S.A. Kuklin, A.R. Khokhlov, S.A. Osipov, N. A. Radychev, I.O.Konstantinov, F.C. Chen, E. N. Koukaras, and Ganesh D. Sharma,
    Elsevier Organic Electronics 46, 192–202 (2017), DOI: 10.1016/j.orgel.2017.04.015
40. Computational study of the excitation energies of CdSe nanoparticles with defects,
    Fotios I. Michos, Michail M. Sigalas, and Emmanuel N. Koukaras,
    IEEE Journal of Selected Topics in Quantum Electronics 23, 4800305 (2017), DOI: 10.1109/JSTQE.2017.2665643
41. New D–A1–D–A2 type regular terpolymers containing benzothiadiazole and benzotrithiophene acceptor units for photovoltaic application,
    Mukhamed L. Keshtova, Alexei R. Khokhlov, Serge A. Kuklin, Fang-Chung Chen, Emmanuel N. Koukaras and Ganesh D. Sharma,
    ACS Applied Materials & Interfaces 8, 32998–33009 (2016), DOI: 10.1021/acsami.6b08802
42. Synthesis and photophysical properties of semiconductor molecules D1–A–D2–A–D1-type structure based on derivatives of quinoxaline and dithienosilole for organics solar cells,
    M. L. Keshtova, D. Yu. Godovsky, S. A. Kuklin, A. Nicolaev, J. Lee, J. Kim, B. Lim, H, K. Lee, E. N. Koukaras, Ganesh D. Sharma,
    Elsevier Organic Electronics 39, 361–370 (2016), DOI: 10.1016/j.orgel.2016.10.010
43. Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal,
    Shanawer Niaz, Aristides D. Zdetsis, Emmanuel N. Koukaras, Oğuz Gülseren, Imran Sadiq,
    Applied Surface Science 387, 771–778 (2016), DOI: 10.1016/j.apsusc.2016.06.197
44. Design of diketopyrrolopyrrole chromophores applicable as sensitizers in dye-sensitized photovoltaic windows for green houses,
    Naresh Duvva, Dimitris Raptis, Challuri Vijay Kumar, Emmanuel N. Koukaras, Lingamallu Giribabu, Panagiotis Lianos,
    Elsevier Dyes and Pigments 134, 472–479 (2016), DOI: 10.1016/j.dyepig.2016.07.046
45. Synthesis and photophysical properties of regioregular low bandgap copolymers with controlled 5-fluorobenzotriazole orientation for photovoltaic application,
    M. L. Keshtov, A. R. Khokhlov, S. A. Kuklin, I. E. Ostapov, A. Yu. Nikolaev, I. O. Konstantinov, Abhishek Sharma, E. N. Koukaras and Ganesh D. Sharma,
    RSC Polymer Chemistry 7, 5849–5861 (2016), DOI: 10.1039/C6PY01173J
46. New ultra low bandgap thiadiazolequinoxaline-based D–A copolymers for photovoltaic applications,
    M. L. Keshtov, S. A. Kuklin, I. O. Konstantinov, I. E. Ostapov, M. A. Topchiy, A. R. Khokhlov, E. N. Koukaras, G. D. Sharma,
    Elsevier Organic Electronics 37, 411–420 (2016), DOI: 10.1016/j.orgel.2016.07.016
47. Synthesis of new D–A1–D–A2 type low bandgap terpolymers based on different thiadiazoloquinoxaline acceptor units for efficient polymer solar cells,
    M. L. Keshtov, S. A. Kuklin, N. A. Radychev, I. E. Ostapov, A. Y. Nikolaev, I. O. Konstantinov, M. M. Krayushkin, E. N. Koukaras, A. Sharma, G. D. Sharma,
    RSC Advances 6, 71232–71244 (2016), DOI: 10.1039/c6ra14537j 
48. Design, synthesis and photophysical properties of D1–A–D2–A–D1-type small molecules based on fluorobenzotriazole acceptor and dithienosilole core donor for solution processed organic solar cells,
    M. L. Keshtov, D. Yu Godovsky, S. A. Kuklin, J. Lee, J. Kim, B. Lim, H. K. Lee, S. Biswas, E. N. Koukaras, G. D. Sharma,
    Elsevier Dyes and Pigments 132, 387–397 (2016), DOI: 10.1016/j.dyepig.2016.05.022
49. Synthesis of alternating D–A1–D–A2 terpolymers comprising two electron-deficient moieties, quinoxaline and benzothiadiazole units for photovoltaic applications,
    M. L. Keshtov, A. R. Khokhlov, S. A. Kuklin, F. C. Chen, A. Y. Nikolaev, E. N. Koukaras, and G. D. Sharma,
    RSC Polymer Chemistry 7, 4025–4035 (2016), DOI: 10.1039/c6py00652c
50. Long-lived discrete breathers in free-standing graphene,
    Alberto Fraile, Emmanuel N. Koukaras, Konstantinos Papagelis, Nikos Lazarides, G.P. Tsironis,
    Elsevier Chaos, Solitons and Fractals 87, 262–267 (2016), DOI: 10.1016/j.chaos.2016.04.015
51. Compression behavior of simply-supported and fully embedded monolayer graphene: theory and experiment,
    Emmanuel N. Koukaras, Charis Androulidakis, Konstantinos Papagelis, George Anagnostopoulos, and Costas Galiotis,
    Elsevier Extreme Mechanics Letters 8, 191–200 (2016), DOI: 10.1016/j.eml.2016.03.016
52. Fully Hydrogenated Beryllium Nanoclusters,
    Emmanuel N. Koukaras, Aris P. Sgouros, and Michael M. Sigalas,
    ACS Journal of the American Chemical Society (JACS) 138, 3218–3227 (2016), DOI: 10.1021/jacs.6b00135
53. New low band gap near-IR conjugated D-A copolymers for BHJ polymers solar cell applications,
    Mukhamed Lostambievich Keshtov, S. A. Kuklin, Nikolay Radychev, A. Y. Nikolaev, I. E. Ostapov, M. M. Krayushkin, I. O. Konstantinov, Emmanuel N. Koukaras, Abhishek Sharma, and Ganesh D. Sharma,
    RSC Physical Chemistry Chemical Physics (PCCP) 18, 8389–8400 (2016), DOI: 10.1039/c5cp07705b
54. Design and synthesis of new ultra-low band gap thiadiazoloquinoxaline-based polymers for nearinfrared organic photovoltaic application,
    M. L. Keshtov, S. A. Kuklin, N. A. Radychev, A. Yu. Nikolaev, E. N. Koukaras, Abhishek Sharma and G. D. Sharma,
    RSC Advances 6, 14893 (2016), DOI: 10.1039/c5ra24364e
55. Graphene flakes under controlled biaxial deformation,
    Charalampos Androulidakis, Emmanuel N. Koukaras, John Parthenios, George Kalosakas, Konstantinos Papagelis, and Costas Galiotis,
    NPG Scientific Reports 5, 18219 (2015), DOI: 10.1038/srep18219 (OPEN ACCESS)
56. Donor–acceptor–acceptor–donor small molecules for solution processed bulk heterojunction solar cells,
    P. Gautam, R. Misra, E.N. Koukaras, Abhishek Sharma, G.D. Sharma,
    Elsevier Organic Electronics 25, 72 (2015), DOI: 10.1016/j.orgel.2015.09.006
57. Chitosan derivatives as effective nanocarriers for ocular release of timolol drug,
    Panoraia I. Siafaka, Alexandra Titopoulou, Emmanuel N. Koukaras, Margaritis Kostoglou, Efthimios Koutris, Evangelos Karavas, Dimitrios N. Bikiaris,
    Elsevier International Journal of Pharmaceutics 495, 249 (2015), DOI: 10.1016/j.ijpharm.2015.08.100
58. Graphene as a hexagonal 2-lattice: evaluation of the in-plane material constants for the linear theory. A multiscale approach,
    D. Sfyris, E.N. Koukaras, N. Pugno, C. Galiotis,
    AIP Journal of Applied Physics 118, 075301 (2015), DOI: 10.1063/1.4928464
59. New Alternating D–A₁–D–A₂ Copolymer Containing Two Electron-Deficient Moieties Based on Benzothiadiazole and 9-(2-Octyldodecyl)-8H-pyrrolo[3,4-b]bisthieno[2,3-f:3',2'-h] quinoxaline-8,10(9H)-dione for Efficient Polymer Solar Cells,
    M. L. Keshtov, S. A. Kuklin, D. Y. Godovsky, A. R. Khokhlov, R. Kurchania, F. C. Chen, Emmanuel N. Koukaras, G. D. Sharma,
    Wiley Journal of Polymer Science Part A: Polymer Chemistry 54, 155–168 (2015), DOI: 10.1002/pola.27786
60. Phonon properties of graphene derived from molecular dynamics simulations,
    Emmanuel N. Koukaras, George Kalosakas, Costas Galiotis, and Konstantinos Papagelis,
    NPG Scientific Reports 5, 12923 (2015), DOI: 10.1038/srep12923 (OPEN ACCESS)
61. Efficient solution processed D₁–A–D₂–A–D₁ small molecules bulk heterojunction solar cells based on alkoxy triphenylamine and benzo[1,2-b:4,5-b']thiophene units,
    Challuri Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, Ganesh D. Sharma, Emilio Palomares,
    Elsevier Organic Electronics 26, 36–47 (2015), DOI: 10.1016/j.orgel.2015.07.014
62. A–π–D–π–A based porphyrin for solution processed small molecule bulk heterojunction solar cells,
    Challuri Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, Abhishek Sharma, Ganesh D. Sharma and Emilio Palomares,
    RSC Journal of Materials Chemistry A 3, 16287 (2015), DOI: 10.1039/c5ta03463a
63. Suspended monolayer graphene under true uniaxial deformation,
    Ioannis Polyzos, Massimiliano Bianchi, Laura Rizzi, Emmanuel N. Koukaras, John Parthenios, Konstantinos Papagelis, Roman Sordan and Costas Galiotis,
    RSC Nanoscale 7, 13033 (2015), DOI: 10.1039/c5nr03072b
64. Study of an indoline–phenothiazine based organic dye for Dye-Sensitized Solar Cells. Theoretical calculations and experimental data,
    Challuri Vijay Kumar, Dimitrios Raptis, Emmanuel N. Koukaras, Lamprini Sygellou, Panagiotis Lianos,
    Elsevier Organic Electronics 25, 66–73 (2015), DOI: 10.1016/j.orgel.2015.06.009
65. Graphene Mechanics: Current Status and Perspectives,
    Costas Galiotis, Otakar Frank, Emmanuel N. Koukaras, Dimitris Sfyris,
    Annual Review of Chemical and Biomolecular Engineering 6, 121–140 (2015), DOI: 10.1146/annurev-chembioeng-061114-123216
66. Characterization of metal-free D–(π–A)₂ organic dye and its application as cosensitizer along with N719 dye for efficient dye-sensitized solar cells,
    M. Singh, R. Kurchania, A. Pockett, R. J. Ball, E. N. Koukaras, P. J. Cameron and G. D. Sharma,
    Indian Journal of Physics 89, 1041-1050 (2015), DOI: 10.1007/s12648-015-0681-0
67. Efficient bulk heterojunction solar cells based on solution processed small molecules based on same benzo[1,2-b:4, 5-b']thiophene unit as core donor and different terminal units,
    Vijay Kumar, Lydia Cabau, Emmanuel N. Koukaras, S. A. Siddiqui, Ganesh D. Sharma and Emilio Palomares,
    RSC Nanoscale 7, 7692–7703 (2015), DOI: 10.1039/C5NR01037C
68. Stress transfer mechanisms at the sub-micron level for graphene/ polymer systems,
    George Anagnostopoulos, Charalampos Androulidakis, Emmanuel N. Koukaras, Georgia Tsoukleri, Ioannis Polyzos, John Parthenios, Konstantinos Papagelis, and Costas Galiotis,
    ACS Applied Materials & Interfaces 7, 4216–4223 (2015), DOI: 10.1021/am508482n (OPEN ACCESS)
69. Solution processed organic solar cells based on A–π–D–π–A Small Molecule with benzo[1,2-b:4,5-b']dithiophene donor unit and ethylrhodanine acceptor unit having 6% light to energy conversion efficiency,
    Challuri Vijay Kumar, Lydia Cabau, E. N. Koukaras, Aurelien Viterisi, G. D. Sharma and Emilio Palomares,
    RSC Journal of Materials Chemistry A 3, 4892–4902 (2015), DOI: 10.1039/C4TA05807K
70. Alternative use of cross-linked polyallylamine (known as Sevelamer pharmaceutical compound) as biosorbent,
    George Z. Kyzas, Panoraia I. Siafaka, Dimitrios N. Bikiaris, Emmanuel N. Koukaras, George E. Froudakis,
    Journal of Colloid and Interface Science 442, 49–59 (2015), DOI: 10.1016/j.jcis.2014.11.036
71. Synthesis, Optical and Electrochemical Properties of A–π–D–π–A Porphyrin and its Application as Electron Donor in Efficient Solution Processed Bulk Heterojunction Solar Cells,
    Challuri Vijay Kumar, Lydia Cabau, E. N. Koukaras, Emilio J. Palomares and G D. Sharma,
    RSC Nanoscale 7, 179–189 (2015), DOI: 10.1039/C4NR05565A
72. Donor–π–acceptor, triazine-linked porphyrin dyads as sensitizers for dye-sensitized solar cells,
    Ganesh D. Sharma, Galateia E. Zervaki, Kalliopi Ladomenou, Emmanuel N. Koukaras, Panagiotis P. Angaridis, and Athanassios G. Coutsolelos,
    Journal of Porphyrins and Phthalocyanines 19, 175–191 (2015), DOI: 10.1142/S108842461450117X
73. Synthesis, optical and electrochemical properties new donor–acceptor (D–A) copolymers based on benzo[1,2-b:3,4-b':6,5-b"] trithiophene donor and different acceptor units: Application as donor for photovoltaic devices,
    M.L. Keshtov, Y. Geng, S.A. Kuklin, A. R. Khokhlov, E. N. Koukaras, G. D. Sharma,
    Elsevier Organic Electronics 17, 167–177 (2014), DOI: 10.1016/j.orgel.2014.11.011
74. Synthesis and Photovoltaic Properties of New Donor-Acceptor (D-A) Copolymers Based on Benzo[1,2-b:3,4-b':6,5-b'']trithiophene donor and different acceptor units (P1 and P2),
    G. D. Sharma, Mukhamed Lostambievich Keshtov, Y. Deng, Zhiyuan Xie, Yanhou Geng, E. N. Koukaras, A. R. Khokhlov, S. A. Kuklin and V. S. Kochurov,
    RSC Advances 4, 53531–53542 (2014), DOI: 10.1039/C4RA05680A
75. Ab initio theoretical investigation of beryllium and beryllium hydride nanoparticles and nanocrystals with implications for the corresponding infinite systems,
    Aristides D. Zdetsis, Michael M. Sigalas, Emmanuel N. Koukaras,
    RSC Physical Chemistry Chemical Physics (PCCP) 16, 14172–14182 (2014), DOI: 10.1039/C4CP01587H
76. Failure Processes in Embedded Monolayer Graphene under Axial Compression,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Otakar Frank, Georgia Tsoukleri, Dimitris Sfyris, John Parthenios, Nicola Pugno, Konstantinos Papagelis, Kostya S. Novoselov and Costas Galiotis,
    NPG Scientific Reports 4, 5271 (2014), DOI: 10.1038/srep05271 (OPEN ACCESS)
77. Compression failure of graphene sheets in polymer nanocomposites,
    Charalampos Androulidakis, Emmanuel N. Koukaras, Otakar Frank, Georgia Tsoukleri, Dimitris Sfyris, John Parthenios, Nicola Pugno, Konstantinos Papagelis, Kostya S. Novoselov, and Costas Galiotis, 
    ECCM16 – 16th European Conference on Composite Materials, Seville, Spain, 22–26 June (2014)
78. Towards Efficient Drug Delivery Trough Suitably Prepared Metal–Organic Frameworks: A First Principle Study, 
    Emmanuel N. Koukaras, Tamsyn Montagnon, Pantelis Trikalitis, Dimitrios Bikiaris, Aristides D. Zdetsis, George E. Froudakis, 
    ACS Journal of Physical Chemistry C 118, 8885–8890 (2014), DOI: 10.1021/jp410282m
79. Size Dependence of the Structural, Electronic, and Optical Properties of (CdSe)n, n=6–60, Nanocrystals,
    Michael M. Sigalas, Emmanuel N. Koukaras and Aristides D. Zdetsis, 
    RSC Advances 4, 14613–14623 (2014), DOI: 10.1039/C4RA00966E
80. Properties and energetics for design and characterization of chitosan nanoparticles used for drug encapsulation, 
    Emmanuel N. Koukaras, Sofia A. Papadimitriou, Dimitrios N. Bikiaris, George E. Froudakis, 
    RSC Advances 4, 12653–12661 (2014), DOI: 10.1039/C3RA47572G
81. Dye-sensitized solar cells based on triazine-linked porphyrin dyads containing one or two carboxylic acid anchoring groups,
    Galateia E. Zervaki, Panagiotis A. Angaridis, Emmanuel N. Koukaras, Ganesh D. Sharma and Athanassios G. Coutsolelos, 
    RSC Inorganic Chemistry Frontiers 1, 256 (2014), DOI: 10.1039/C3QI00095H
82. New conjugated alternated benzodithiophene-containing copolymers with different acceptor units: synthesis and photovoltaic application,
    G. D. Sharma, V. S. Kochurov, D. V. Marochkin, A. R. Khokhlov and E. N. Koukaras, 
    RSC Journal of Materials Chemistry A 2, 155–171 (2013), DOI: 10.1039/C3TA12967E
83. Synthesis and characterization of two carbazole-based alternating copolymers with 4-nitrophenylcyanovinylene pendant groups and their use as electron donors for bulk heterojunction solar cells,
    G. D. Sharma, Manjeet Singh, Rajnish Kurchania, E. N. Koukaras and J. A. Mikroyannidis,
    RSC Advances 3,18821–18834 (2013), DOI: 10.1039/c3ra42299b
84. Size dependence of the optical gap of “small” silicon quantum dots: Ab Initio and empirical correlation schemes,
    Shanawer Niaz, Emmanuel N. Koukaras, Nikolaos P. Katsougrakis, Theodoros G. Kourelis, Dimitrios K. Kougias and Aristides D. Zdetsis, 
    Microelectronic Engineering 112, 231–234 (2013), DOI: 10.1016/j.mee.2013.07.005
85. Synthesis and characterization of low band gap quinoxaline based D−A copolymer and its application as donor for bulk heterojunction polymer solar cells,
    M. L. Keshtov, D. V. Marochkin, V. S. Kochurov, A. R. Khokhlov, E. N. Koukaras and G. D. Sharma, 
    RSC Polymer Chemistry 4, 4033–4044 (2013), DOI: 10.1039/C3PY00391D
86. Theoretical study of oxygen contaminated silicon quantum dots: A case study for Si₂₉H_29–xO_29–y,
    Aristides D. Zdetsis, Shanawer Niaz, and Emmanuel N. Koukaras, 
    Microelectronic Engineering 112, 227–230 (2013), DOI: 10.1016/j.mee.2013.05.008
87. Ab initio study of Magnesium and Magnesium hydride nanoclusters and nanocrystals: Examining optimal structures and compositions for efficient hydrogen storage,
    Emmanuel N. Koukaras, Aristides D. Zdetsis, Michael M. Sigalas, 
    ACS Journal of the American Chemical Society (JACS) 134, 15914–15922 (2012), DOI: 10.1021/ja306344b
88. Insight on the Formation of Chitosan Nanoparticles through Ionotropic Gelation with Tripolyphosphate,
    Emmanuel N. Koukaras, Sofia A. Papadimitriou, Dimitrios N. Bikiaris, and George E. Froudakis, 
    ACS Molecular Pharmaceutics 9, 2856–2862 (2012), DOI: 10.1021/mp300162j
89. Phononic bandgaps in graphene-based materials,
    Michael M. Sigalas and Emmanuel N. Koukaras, 
    AIP Applied Physics Letters 100, 203109 (2012) DOI: 10.1063/1.4717746
90. Structural and Static Electric Response Properties of Highly Symmetric Lithiated Silicon Cages: Theoretical Predictions,
    Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos and Manthos Papadopoulos, 
    ACS Journal of Computational Chemistry 33, 1068–1079 (2012). Selected for the Issue 10 (15 April 2012) Cover Article. DOI: 10.1002/jcc.22938
91. Theoretical study of Si₂₀Li₂₀ cage cluster,
    Aristides D. Zdetsis and Emmanuel N. Koukaras, 
    AIP Conference Proceedings 1504, 683–686 (2012), DOI: 10.1063/1.4771787
92. Ab initio study of the Silicon–Bismuth interface: Bismuth nanolines and Bismuth-covered Silicon nanoparticles,
    Aristides D. Zdetsis, Emmanuel N. Koukaras and Dimitrios A. Zdetsis, 
    Microelectronic Engineering 90, 99–103 (2011), DOI: 10.1016/j.mee.2011.05.031
93. Theoretical study of the elasticity of ultra-thin finite silicon nanowires. I. Semiempirical model considerations,
    Emmanuel N. Koukaras, Shanawer Niaz, Dimitrios A. Zdetsis and Aristides D. Zdetsis, 
    Microelectronic Engineering 90, 88–91 (2011), DOI: 10.1016/j.mee.2011.04.042
94. Theoretical Study of Amino Acid Interaction with Metal−Organic Frameworks,
    E. N. Koukaras, A. D. Zdetsis and G. E. Froudakis, 
    ACS Journal of Physical Chemistry Letters 2, 272 (2011), DOI: 10.1021/jz101602p
95. Organometallic Multidecker silicon–carbon sandwiches,
    E. N. Koukaras and A. D. Zdetsis. 
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 301
96. Ab initio investigation of the interaction of glycine and other amino acids with Metal–Organic Frameworks (MOFs),
    Emmanuel N. Koukaras, Aristides D. Zdetsis, and George E. Froudakis.
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 299
97. Exploring the possibility of drug delivery for cancer therapy through carbon–boron and carbon–silicon nanorods,
    E. N. Koukaras, N. Katsougrakis, T. Kourelis, and A. D. Zdetsis. 
    In proceedings of XXVI Panhellenic Conference on Solid State Physics and Material Science, Ioannina, Greece (2010), pg. 225
98. Multidecker Sandwiches of Silicon–Carbon Clusters,
    E. N. Koukaras and A. D. Zdetsis, 
    Organometallics 28 (15), 4308–4315 (2009), DOI: 10.1021/om9003253
99. A systematic way for obtaining the structural and electronic properties of Silicon–Carbon clusters of the form Si_nC₂, n=1–5,
    E. N. Koukaras, M. Mühlhäuser and A. D. Zdetsis, 
    AIP Conference Proceedings 1148, 384 (2009), DOI: 10.1063/1.3225323
100. Multidecker stacking and cluster fusion of silicon–carbon clusters,
     E. N. Koukaras and A. D. Zdetsis, 
     AIP Conference Proceedings 1148, 368 (2009), DOI: 10.1063/1.3225318
101. Elastic properties of ultra-thin hydrogenated silicon nanowires based on all electron mixed ab initio and semiempirical calculations,
     E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, 
     AIP Conference Proceedings 1148, 376 (2009), DOI: 10.1063/1.3225320
102. A parallel study of Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 and </sub<>Cu@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 nanoclusters,
     A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis,
     Journal of Mathematical Chemistry 46, 971 (2009), DOI: </sub<>10.1007/s10910-009-9549-x
103. Mixed silicon-germanium nanocrystals: A detailed study of Si_xGe_47-x:H,
     A. D. Zdetsis, C. S. Garoufalis and E. N. Koukaras, 
     Journal of Mathematical Chemistry 46, 942 (2009), DOI: 10.1007/s10910-009-9555-z
104. Novel effects in finite-length silicon nanowires,
     A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis, 
     Phys. Stat. Sol. (a) 205, 2625, (2008), DOI: 10.1002/pssa.200780159
105. Structural properties and magic structures in hydrogenated finite and infinite silicon nanowires,
     A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis, 
     AIP Applied Physics Letters 91, 203112, (2007), DOI: 10.1063/1.2813019
106. High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study,
     E. N. Koukaras, A. D. Zdetsis and C. S. Garoufalis, 
     AIP Conference Proceedings 963, 375 (2007), DOI: 10.1063/1.2836089
107. Electronic and Structural Properties of M@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 and </sub<>M@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12H₁₂ Clusters, M = Ni, Zn,
     E. N. Koukaras and A. D. Zdetsis, 
     AIP Conference Proceedings 963, 395 (2007), DOI: </sub<>10.1063/1.2836094
108. Ab initio study of electronic and structural properties of the Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">10 cluster,
     E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, 
     Lecture Series on Computer and Computational Sciences 7B, 1174, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)</sub<>
109. Ab initio study of optical and electronic properties of silicon and germanium Nanowires,
     E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, 
     Lecture Series on Computer and Computational Sciences 7B, 1182, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)
110. A comparative DFT and MPn study of isoelectronic [Co@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12]^–1, [</sub<>Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12] and [</sub<>Cu@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12]⁺¹ clusters,
     A. D. Zdetsis, E. N. Koukaras and C. S. Garoufalis, 
     Lecture Series on Computer and Computational Sciences 7B, 1178, Brill Academic Publishers, eds. T. Simos and G. Maroulis (2006)</sub<>
111. Structure and properties of the Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 cluster from all-electron ab initio calculations, 
     E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, 
     APS Physical Review B 73, 235417 (2006), DOI: </sub<>10.1103/PhysRevB.73.235417
112. Structural and electronic properties of the Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 nanocluster,
     E. N. Koukaras, C. S. Garoufalis and A. D. Zdetsis, 
     Lecture Series on Computer and Computational Sciences, 4 1492 (2005).</sub<>
113. Optical and electronic properties of mixed SiGe:H nanocrystals,
     A. D. Zdetsis , C. S. Garoufalis and E. N. Koukaras, 
     Lecture Series on Computer and Computational Sciences, 4 1488 (2005).
114. Variation and adjustment of the optical gap of small Si nanocrystals by partial substitution of Si with Ge,
     A. D. Zdetsis, C. S. Garoufalis, M. S. Skaperda and E. N. Koukaras, 
     IOP Journal of Physics: Conference Series 10, 101 (2005), DOI: 10.1088/1742-6596/10/1/025
115. Theoretical calculations of the optical gap for germanium and silicon-germanium quantum dots. 
     M. Skaperda, C. S. Garoufalis, E. Koukaras and A. D. Zdetsis. 
     In proceedings of XX Hellenic Solid State Physics Conference, Ioannina, Greece (2004).

Presentations

• 2021 – Aspects of intramolecular charge transfer by electronic excitations via TD-DFT, Talk at the 2^nd Workshop on Computational Materials Science (CMS), 18 December 2021, organized by the Hellenic Society for the Science and Technology of Condensed Matter under the auspices of the Materials Science Department of the University of Patras, Greece.
• 2021 – Getting excited with time-dependent density functional theory: Introduction and applications (hands on tutorial), Talk at the 1^st Summer School of nanoQIQO (Nanotechnology, Quantum Information and Quantum Optics), 12 – 16 July 2021, organized by the Materials Science Department of the University of Patras, Greece.
• 2016 – Examining the response of graphene and other 2D crystals under mechanical loads, (INVITED) Talk at the International Conference of the Condensed Matter Division of the European Physical Society (EPS) (CMD26), 4 – 9 September 2016, Groningen, The Netherlands.
• 2013 – Density Functional Theory, The Route to Chemical Accuracy, Theoretical and Computational Nanophysics and Chemistry Workshop of the Nanomaterials Theoretical Design Intra-University Network (Nanotheo 2013), 21 May 2013, University of Patras, Patras, Greece.
• 2010 – All Electron Ab Initio Calculations for the Interaction of Glycine and Tyrosine with Metal–Organic–Frameworks (MOFs), International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2010), 3 – 8 October 2010, Psalidi, Kos, Greece, Greece.
• 2008 – Multidecker Stacking and Cluster Fusion of Silicon–Carbon Clusters, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2008), 25 – 30 September 2008, Hersonissos, Crete, Greece.
• 2007 – High-stability finite-length silicon nanowires: A real space theoretical study, Third International Conference Micro & Nano (Micro & Nano 2007), 18 – 21 November 2007, NCSR Demokritos, Athens, Greece.
• 2006 – Ab initio study of optical and electronic properties of silicon Nanowires, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2006), 27 October – 1 November 2006, Chania, Crete, Greece.
• 2005 – Structural and Electronic Properties of the Ni@Si<sub< a=""> style="box-sizing: border-box; font-size: 12px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em;">12 nanocluster, International Conference of Computational Methods in Sciences and Engineering (</sub<>ICCMSE 2005), 21 – 26 October 2005, Loutraki, Korinthos, Greece.

International Professional Services

Reviewer of proposals submitted to the American Chemical Society Petroleum Research Fund.
Reviewer of the Journal of the American Chemical Society.
Reviewer of the International Journal of Hydrogen Energy.
Reviewer of the journal Physical Chemistry Chemical Physics (RSC PCCP).
Reviewer of the journal Materials Science in Semiconductor Processing.
Reviewer of the journal Advanced Composites Letters.
Reviewer of the journal RSC Advances.
Reviewer of the journal Materials Today.
Reviewer of the journal NPG Scientific Reports.
Reviewer of the journal Graphene Technology.

Scientific Committees

Member, Local Organizing Committee
Workshop on Graphene: Second Graphene Summer School, FORTH Graphene Center, Patras, Greece, 14−18 July, 2014.

Member, Local Organizing Committee
Industrial Technologies 2014 Conference, Athens International Conference Centre Megaron, Greece, April 9−11, 2014.
Industrial Technologies 2014 is a Greek Presidency 2014 event under the auspices of the General Secretariat of Research & Technology (GSRT).

Member, Scientific Program Committee
First Workshop on Theoretical and Computational Nanophysics and Chemistry, Patras, Greece, May 31, 2013.

Awards

2018 Principal Investigator. Awarded Grant from the Hellenic Foundation for Research and Innovation, H.F.R.I. (EL.ID.E.K.) and the General Secretariat for Research and Technology (GSRT), under grant agreement No 1536. Acronym: GRAFEL. Title: Designing pillared graphene nanomaterials with tuneable electronic properties and enhanced flexibility for electronic devices. Total Budget: EUR 449 990.11
2008 Young Scientist Excellence Award of ICCMSE (International Conference in Computational Methods in Science and Engineering) 2008
2003–2005 Postgraduate grant from the Research Committee of the University of Patras, "K. Karatheodori"

Academics

• Movement of charged particles in a magnetic dipole field. Part of a graduate course in Mechanics at the Physics Department of the Univeristy of Patras [] (Greek, 1027kB).
• Interfacing Mathematica with external programs. Part of a graduate course in Symbolic Programming at the Department of the Univeristy of Patras [] (Greek, 185kB) [] (complete package along with a mathematica notebook, 274kB).
• Monte Carlo Methods and the Ising Model. Part of a graduate course in Simulation of Physical Systems at the Department of the Univeristy of Patras [] (Greek, 904kB) [] (complete package along with executables and source code - Win32, 1065kB).
• Quantum Zeno Effect. A small essay, part of a graduate course in Quantum Mechanics at the Department of the Univeristy of Patras [] (Greek, 419kB)

Contact Information

Assist. Prof. Emmanuel N. Koukaras
Applied Quantum Chemistry
Principle Investigator GRAFEL, HFRI/GSRI
Laboratory of Quantum and Computational Chemistry
School of Chemistry
Aristotle University of Thessaloniki
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
Tel: (+30) 2310 997708
www: http://grafel.chem.auth.gr
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GRAFEL previous Host Institute
Institute of Chemical Engineering Sciences (ICE-HT) 
Foundation for Research and Technology (FORTH) 
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
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Senior Research Associate
Composites and Nano Materials Laboratory (CNM/ICE-HT/FORTH) 
www: http://cnm.iceht.forth.gr