His research interests lie in a wide range of materials and molecular systems and has an expertise on computational methods that span multiple scales. He has acquired funding and has handled several projects as an independent researcher.
He has published 34 peer reviewed papers in international refereed scientific journals. His work has been cited more than 1150 times and has achieved an h-index 16.

His research focuses mainly in (but is not limited to) the following fields:

• Gas adsorption and separation for energy and environmental applications
• Design of novel Nanostructured and Nanoporous materials with emphasis in Metal-Organic Frameworks and Carbon based systems
• Electronic structure calculations
• Multi-scale computational techniques for gas adsorption
• Calculation of electronic and mechanical properties of 2D heterostructures
• Materials Informatics

Education

University of Crete, Hellas
Ph.D., Computational Chemistry, 2009
Dissertation: Hydrogen storage in novel nanostrucutred materials.

University of Ioannina, Hellas
M.Sc., Chemistry & Technology of Materials, 2008
Thesis: Theoretical studies on the molecular Hydrogen adsorption in Isoreticular Metal-Organic Frameworks (MOF).

University of Ioannina, Hellas
B.Sc., Materials Science and Engineering, 2004
Bachelor Thesis: Synthesis of PS-PEO diblock copolymer with anionic polymerization

Work/Research Experience

• 9/2018 – present: Associate Researcher, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Greece.
• 03/2017 – 09/2018: Postdoctoral Research Associate with IKY scholarship, Chemistry Department, University of Crete, Hellas.
• 10/2010 – 11/2015: Postdoctoral Research Associate, Chemistry Department, University of Crete, Hellas.
• 11/2009 – 8/2010: Fuel and Lubricant Quality control, Hellinic Air Force (Military service).

External Funding

• 2018 – present: Hellenic Foundation for Research and Innovation (HFRI) Grand for post-doctoral researchers (GRAFEL) (Participant and co-author of the submitted proposal).
• 2017 – 2018: Greek State Scholar Foundation (IKY) Grand for supporting post-doctoral researchers (researcher).
• 2014 – 2015: General Secretariat for Research and Technology (GSRT) THALES (post-doctoral researcher).
• 2014 – 2015: General Secretariat for Research and Technology (GSRT) ARISTEIA II (post-doctoral researcher).
• 2013 – 2014: General Secretariat for Research and Technology (GSRT) COOPERATION (post-doctoral researcher).
• 2010 – 2012: General Secretariat for Research and Technology (GSRT) COOPERATION (post-doctoral researcher).

Teaching Experience

• Spring 2017: Course Instructor (Katsaraki University Scholarship) in the Undergraduate Course “Computational methods applied for studying molecules, nanomaterials and environmental applications”, Department of Chemistry, University of Crete, Hellas.
• Spring 2012: Course Instructor (ΠΔ 407/80) in the Undergraduate Course “Industrial Chemistry”, Department of Chemistry, University of Crete, Hellas.
• Spring 2011: Course Instructor (ΠΔ 407/80) in the Undergraduate Course “Computational methods for studying molecules and nanomaterials”, Department of Chemistry, University of Crete, Hellas.
• Fall 2010: Course Instructor (ΠΔ 407/80) in the Postgraduate Course “Computational methods for studying molecules and nanomaterials”, Department of Chemistry, University of Crete, Hellas.

Papers

Selected Publications

1. Improving Hydrogen Storage Capacity of MOF by Functionalization of the Organic Linker with Lithium Atoms,
   E. Klontzas, A. Mavrandonakis, E. Tylianakis, G.E. Froudakis,
   ACS Nano Letters 8, 1572 (2008); DOI: 10.1021/nl072941g
2. Enhancement of Hydrogen Adsorption in Metal-Organic Frameworks by the Incorporation of the Sulfonate Group and Li Cations. A Multiscale Computational Study,
   A. Mavrandonakis, E. Klontzas, E. Tylianakis, G.E. Froudakis,
   ACS Journal of the American Chemical Society (JACS) 131, 13410 (2009), DOI: 10.1021/ja9043888
3. Design of 3D-COF with enhanced hydrogen storage capacity,
   E. Klontzas, E. Tylianakis, G.E. Froudakis,
   ACS Nano Letters 10, 452 (2010), DOI: 10.1021/nl903068a
4. On the Enhancement of Molecular Hydrogen Interactions in Nanoporous Solids for Improved Hydrogen Storage,
   E. Klontzas, E. Tylianakis, G.E. Froudakis,
   ACS Journal of Physical Chemistry Letters 2, 1824 – 1830 (2011), DOI: 10.1021/jz2005368
5. Promising Fast Energy Transfer System via an Easy Synthesis: Bodipy–Porphyrin Dyads Connected via a Cyanuric Chloride Bridge, Their Synthesis and Electrochemical and Photophysical Investigations,
   T. Lazarides, G. Charalambidis, A. Vuillamy, M. Reglier, E. Klontzas, G. Froudakis, S. Kuhri, D. M. Guldi, A. G. Coutsolelos,
   ACS Inorganic Chemistry 50, 8926 – 8936 (2011), DOI: 10.1021/ic201052k
6. Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage,
   E. Tylianakis, G. K. Dimitrakakis, F. J. Martin-Martinez, S. Melchor, J. A. Dobado, E. Klontzas, G. E. Froudakis,
   Elsevier International Journal of Hydrogen Energy 39, 9825 – 9829 (2014), DOI: 10.1016/j.ijhydene.2014.03.011
7. Reticular Synthesis of HKUST-like tbo-MOFs with enhanced CH4 storage,
   I. Spanopoulos, C. Tsangarakis, E. Klontzas, E. Tylianakis, G. Froudakis, K. Adil, Y. Belmabkhout, M. Eddaoudi, P. N. Trikalitis,
   ACS Journal of the American Chemical Society 138, 1568 – 1574 (2016), DOI: 10.1021/jacs.5b11079
8. Tuning the interaction strength and the adsorption of CO₂ in metal-organic frameworks by functionalization of the organic linkers,
   M. G. Frysali, E. Klontzas, E. Tylianakis, G. E. Froudakis,
   Elsevier Microporous and Mesoporous Materials 227, 144 – 151 (2016), DOI: 10.1016/j.micromeso.2016.02.045
9. Directed assembly of a high surface area 2D metal–organic framework displaying the augmented “kagomι dual” (kgd-a) layered topology with high H₂ and CO₂ uptake,
   I. Spanopoulos, C. Tsangarakis, S. Barnett, H. Nowell, E. Klontzas, G. E. Froudakis, P. N.Trikalitis,
   RCS Inorganic Chemistry Frontiers 4, 825 – 832 (2017), DOI: 10.1039/C6QI00547K
10. Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery,
    M. Kotzabasaki, I. Galdadas, E. Tylianakis, E. Klontzas, Z. Cournia, G. E. Froudakis,
    RSC Journal of Materials Chemistry B 5, 3277-3282 (2017), DOI: 10.1039/C7TB00220C
11. Chemically intuited, large-scale screening of MOFs by machine learning techniques,
    G. Borboudakis, T. Stergiannakos, M. Frysali, E. Klontzas, I. Tsamardinos, G. E. Froudakis,
    npj Computational Materials 3, 40 (2017), DOI: 10.1038/s41524-017-0045-8

Presentations

• 2018 – Symposium on Theoretical Physical Chemistry / Theoretical Materials Science, 28 June 2018, National Hellenic Research Foundation, Athens, Hellas.
• 2018 – 8^th North American – Greek – Cyprus workshop on paramagnetic materials, 18–22 June 2018, Sparta, Hellas.
• 2014 – Effect of Mg alkoxide groups on the CO₂ adsorption in Metal–Organic Frameworks (MOF), 30^th Pan-Hellenic Conference of Solid State Physics and Materials Science, 21–24 September 2014, Heraklion, Crete, Hellas.
• 2009 – Computational studies for determining hydrogen storage in 3-Dimensional COF porous COF materials, 2^nd Greece–Cyprus Conference for Chemistry Graduate Students, 16–20 September 2009, Platanias, Crete, Hellas.
• 2008 – First principles theoretical study of the interaction of hydrogen with the ultra-microporous materials MOF and COF, International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2008), 25–30 September 2008, Hersonissos, Crete, Hellas.

International Professional Services

Reviewer of the journal ACS Journal of Physical Chemistry Letters.
Reviewer of the journal ACS Journal of Physical Chemistry C.
Reviewer of the journal Elsevier Journal of Chemical Physics International Journal of Hydrogen Energy.
Reviewer of the journal Elsevier Microporous and Mesoporous Materials.
 

Scientific Committees

Member, Organizing Committee
International Symposium on advanced nanoporous and nanostrucutred materials, 3 − 4 September 2014, Heraklion, Crete, Hellas.

Member, Organizing Committee
5th Panhellenic symposium on Porous Materials, University of Crete, 30 June − 1^st July 2011, Heraklion, Crete, Hellas.

Member
Pan-Hellenic Society of Materials Engineers (ΠΑΣΔΜΕΥ).

Reviewer
Scientific research journals in the fields of physical chemistry, materials, and hydrogen economy.

Awards

2018 − Hellenic Foundation for Research and Innovation (HFRI) Grand for post-doctoral researchers (GRAFEL). Co-author of the submitted proposal and initially as a post-doctoral researcher, and thereafter − having been assigned a tenured position at the National Hellenic Research Foundation − as a Researcher / Group Member.
2017 − 2018: Greek State Scholar Foundation (IKY) Grant for supporting post-doctoral researchers (Researcher).
2016 − The paper entitled Reticular Synthesis of HKUST-like tbo-MOFs with enhanced CH₄ storage, J. Am. Chem. Soc. 138, 1568 − 1574 (2016), was Selected for the Issue 5 (February 10, 2016) Cover Article.
2017 − Katsaraki University Scholarship for instructing Undergraduate Course at the Department of Chemistry, University of Crete, Hellas, Spring 2017.

Contact Information

Emmanuel Klontzas, PhD
Researcher
Theoretical and Physical Chemistry Institute
National Hellenic Research Foundation
48 Vassileos Constantinou Ave.
Athens 11635, Greece
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
Tel: (+30) 210 7273801
www: http://grafel.iceht.forth.gr
www: http://www.eie.gr/nhrf/institutes/tpci/index-en.html