Dr Ioannis Skarmoutsos studied Chemistry (BSc) at the National and Kapodistrian University of Athens (NKUA) and subsequently continued with postgraduate studies, obtaining a Master’s degree (MSc) and a PhD in Theoretical-Computational Physical Chemistry at the same university (NKUA).

For more information please refer to his Curriculum Vitae.

Research Interests

The research work of Dr Skarmoutsos is in the field of Theoretical-Computational Physical Chemistry and focusses on the following main themes:

• Thermodynamic, structural and dynamic properties of bulk ionic liquids.
• Investigation of the properties of organic electrolytes for batteries.
• Computational modelling-rational design of nanoporous solid materials (Carbon-based materials and Metal Organic Frameworks) for the adsorption and separation of gases and energy applications in general.
• Investigation of the properties of liquid and supercritical solvents for green chemistry applications.
• Investigation of the anomalous properties of water.
• Computational modelling of new alternative refrigerant systems.

Academic Career

 During his research career so far, Dr Skarmoutsos has obtained significant experience in computational chemistry and molecular modelling techniques (classical and quantum), as well as in statistical mechanics and thermodynamics of condensed matter. His post-doctoral work at several prestigious European Institutes (Imperial College London, University College London, Technical University of Barcelona, CEA-Grenoble, University of Montpellier, University of Sassari, University Pablo de Olavide, University of Crete, National Hellenic Research Foundation) has helped him to develop several skills and gain significant experience on multi-scale computational modelling techniques in theoretical chemistry-materials science and condensed matter physics. He has also been trained to use High Performance Computing facilities and was a recipient of the HPC-Europa fellowship on 2012 and 2018, in order to use the supercomputing facilities of CINECA and Mare Nostrum (BSC-Barcelona) to perform extensive ab initio molecular dynamics studies on porous materials, battery electrolytes and aqueous systems.

 Dr Skarmoutsos has been an active user of several European and International Supercomputing facilities (Juelich Germany, Mare Nostrum Barcelona, Fermi-CINECA, Titan USA, ARIS Greece) and has obtained significant experience in using Unix-Linux multiprocessor clusters, scientific programming and code development, compiling parallel computational chemistry applications and successfully working with them. At the same time, he is an active reviewer of scientific proposals to use the High-Performance Computing Facilities (ARIS supercomputer) of the Greek Research and Technology Network (GRNET).

 Dr Skarmoutsos has published many papers in international peer-reviewed journals and conferences-symposia and is an active reviewer for many international high-impact factor scientific journals.  He has also been a member of the editorial board of the Journal of Theoretical Chemistry (Hindawi Publishing Corporation) from 2012 to 2017 and is currently a member of the editorial board of Frontiers in Physics, Condensed Matter Physics (Frontiers Media, Lausanne, Switzerland).

Contact Information

Ioannis Skarmoutsos, PhD
Physical Chemistry
Postdoctoral Researcher GRAFEL, HFRI/GSRT
Aristotle University of Thessaloniki (AUTH)
e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
www: http://grafel.chem.auth.gr
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Research Associate
Associate Researcher
Theoretical and Physical Chemistry Institute
National Hellenic Research Foundation
48 Vassileos Constantinou Ave.
Tel: (+30) 210 7273801
www: http://www.eie.gr/nhrf/institutes/tpci/index-en.html