Curriculum Vitae

Georgios Fanourgakis

Assistant Professor, School of Chemistry

Personal Information

- 2310997709
fanourg@chem.auth.gr

Course Work

Courses of Winter semester of 2026–27 academic year

	SCHOOL OF CHEMISTRY
Α05	Introduction to Informatics
Κ101	Molecural Models
Υ03	Applied Mathematics in Chemistry I
Υ11	Quantum Chemistry & Introduction to Spectroscopy

	SCHOOL OF MECHANICAL ENGINEERING
CESE04	INTRODUCTION TO PROGRAMMING

Courses of Spring semester of 2026–27 academic year

	SCHOOL OF CHEMISTRY
Α08	Applied Mathematics in Chemistry II
Η10	Computational Chemistry
Κ101	Molecural Models

	SCHOOL OF MECHANICAL ENGINEERING
CESE16	COMPUTATIONAL METHODS FOR SIMULATING ENERGY MATERIALS

Theses Supervised

Student Theses within AUTh

In progress

Undergraduate

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AI-Enhanced Spectral Analysis: Applying Neural Networks to Laser-Induced Breakdown Spectroscopy (LIBS) for Advanced Elemental Detection
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Doctoral

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2026–2027

Undergraduate

«Molecular docking based on artificial intelligence: Prediction of ligand–protein interactions with AlphaFold».
Python in Cheminformatics
«Machine learning methods for the description of molecular interactions - application to carbon.»

2025–2026

Undergraduate

Dynamic Managment and Forecasting of energy balanc e in RES Systems via machine learning algorithms in Python
Machine Learning methods for the description of inter-molecular interactions
Machine Learning methods for the description of inter-molecular interactions
APPLICATIONS OF THE METAL-ORGANIC FRAMEWORKS (MOFs) IN BIOMEDICINE
STUDY OF GAS SEPARATION BY NANOPOROUS MATERIALS BY MACHINE LEARNING METHODS

2024–2025

Postgraduate

Gas Adsorption Prediction in Experimental and Theoretically Constructed Metal– Organic Frameworks (MOFs) Using Machine Learning Methods

Undergraduate

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Molecular simulations for the study of dynamic properties of water and aqueous solutions"
Machine Learning approaches for the study of nanoporous materials

Research Projects

Coordinator
2023–2024	Construction of Accurate Machine Learning Models for the Prediction of Gas Adsorption by Metal Organic Frameworks.

Participant
2023–2025	Suberlubricity of 2D Materials

Publications

(2025)

Journal Article

Karatasos K., Fanourgakis Georgios, Zuburtikudis I., Khalifeh Hadil Abu . (2025) . Mechanisms determining water permeability and ion selectivity of multilayered glycine-functionalized graphene oxide membranes in saline water reverse osmosis processes: A computational investigation . Journal of Membrane Science . vol.713 p.123361 (14 pages)
Manitsas Loukas, Fanourgakis Georgios . (2025) . A physically motivated Machine Learning model for accurate gas adsorption predictions in nanoporous materials . Microporous & Mesoporous Materials . vol.398 p.113796 (11 pages)

(2024)

Journal Article

Iskandarov Javad, Fanourgakis Georgios, Ahmed Shehzad, Alameri Waleed, Froudakis George E., Karanikolos Georgios N. . (2024) . Machine learning prediction and optimization of CO2 foam performance for enhanced oil recovery and carbon sequestration: Effect of surfactant type and operating conditions . Geoenergy Science and Engineering . vol.240 p.213064 (11 pages)
Iskandarov Javad, Ahmed Shehzad, Fanourgakis Georgios, Alameri Waleed, Froudakis George E., Karanikolos Georgios N. . (2024) . Predicting and optimizing CO2 foam performance for enhanced oil recovery: A machine learning approach to foam formulation focusing on apparent viscosity and interfacial tension . Marine and Petroleum Geology . vol.170 p.107108 (8 pages)
Sarikas Antonios P., Fanourgakis Georgios, Gkagkas Konstantinos, Froudakis George E. . (2024) . Comparison of machine learning approaches for the identification of top-performing materials for hydrogen storage . Sustainable Chemistry for the Environment . vol.5 p.100056 (8 pages)

(2023)

Journal Article

Karatasos K., Fanourgakis Georgios, Zuburtikudis I., Abu Khalifeh Hadil . (2023) . Multilayer graphene oxide-based membranes for reverse osmosis water desalination: An atomistically detailed simulation study . Journal of Environmental Chemical Engineering . vol.11 no.5 p.110550 (13 pages)
Sarikas Antonios P., Fanourgakis Georgios, Tylianakis Emmanuel, Gkagkas Konstantinos, Froudakis George . (2023) . Comparison of Energy-Based Machine Learning Descriptors for Gas Adsorption . Journal of Physical Chemistry C . vol.127 no.43 p.20995-21005

Book Chapter

Sarikas A. P., Fanourgakis Georgios, Froudakis G. E. . (2023) . Metal-organic frameworks in the age of machine learning . Reticular Chemistry and Applications : Metal-Organic Frameworks . Youssef Belmabkhout, Kyle E. Cordova . Berlin . De Gruyter . p.43-72

(2022)

Journal Article

Fanourgakis Georgios, Gkagkas Konstantinos, Froudakis George . (2022) . Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storage . Journal of Chemical Physics . vol.156 no.5 p.054103 (11 pages)
Iskandarov Javad, Fanourgakis Georgios, Ahmed Shehzad, Alameri Waleed, Froudakis George E., Karanikolos Georgios N. . (2022) . Data-driven prediction of in situ CO2 foam strength for enhanced oil recovery and carbon sequestration . RSC Advances . vol.12 no.55 p.35703-35711
Zhang Linda, Allendorf Mark D., Balderas-Xicohtencatl Rafael, Broom Darren P., Fanourgakis Georgios, Froudakis George E., Gennett Thomas, Hurst Katherine E., Ling Sanliang, Milanese Chiara, Parilla Philip A., Pontiroli Daniele, Ricco Mauro, Shulda Sarah, Stavila Vitalie, Steriotis Theodore A., Webb Colin J., Witman Matthew, Hirscher Michael . (2022) . Fundamentals of hydrogen storage in nanoporous materials . Progress in Energy . vol.4 no.4 p.042013 (29 pages)

(2021)

Conference Proceedings Article

Chatziparaschos M., Daskalakis N., Myriokefalitakis S., Fanourgakis Georgios, Kanakidou M. . (2021) . Global Simulations of Ice Nuclei Particles Derived from Organics and Inorganics Particles . Air Pollution Modeling and its Application XXVII . 37th International Technical Meeting on Air Pollution Modeling and its Application . Επιμέλεια:Clemens Mensink, Volker Matthias . Hamburg - Germany . Berlin . Springer . p.19–24
Iskandarov Javad, Fanourgakis Georgios, Alameri Waleed, Froudakis George, Karanikolos Georgios . (2021) . Machine Learning Application to CO2 Foam Rheology . Abu Dhabi International Petroleum Exhibition and Conference . Abu Dhabi International Petroleum Exhibition & Conference . Abu Dhabi - UAE . Society of Petroleum Engineers . p.D021S029R003