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Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos"


Research work focuses on the development and implementation of novel hierarchical methods and algorithms for the modelling and calculation of physical properties of pure compounds and mixtures at the molecular, mesoscopic and macroscopic levels. Our research contributes to the optimum design of chemical processes and the development of advanced materials.


Advanced Cources 

Specialized advanced courses are offered for post-graduate students, post-doctoral researchers and professionals in the areas of molecular simulation, statistical mechanics, molecular thermodynamics, polymer physics, environmental management and technology and innovation management. 


News & Events

New research project to be funded by EC - Positions available

A research project entitled: Quantitative Failure Consequence Hazard Assessment for Next Generation CO2 Pipelines: The Missing Link was approved for funding by European Commission's FP7 Programme on Energy.  The project that will run for 3 years starting in October 2009 brings together 7 academic and industrial partners from UK, Greece, France, Norway and China. MTMML has two new positions available related to this project.

MTMML alumnus receives best EFCE's PhD thesis award

Dr. Eirini Karakatsani is the recipient of the 2009 EFCE Excellence Award in Thermodynamics and Transport Properties.

New funded research project initiated

MTMML and Scienomics SARL signed a new contracted research agreement on "Quantitative Materials Informatics Systems
for Virtual High-Throughput Screening for Industrial R&D Applications".  The project is funded by OSEO, France and the duration is 30 months.



MTMML consists of 4 senior researchers, 1 collaborating faculty, 2 post-doctoral fellows and 2 PhD students. We also host visiting scientists from the collaborating Institutions on a regular basis. The educational background of the team is primarily in chemical engineering, followed by physics, chemistry materials science, and applied mathematics. 


Services provided to the oil, chemical and pharmaceutical industry worldwide include:

(a) software development for physical property predictions using engineering models,
(b) software development for molecular simulation,
(c) validation of computational tools for physical property predictions, and

(d) contracted research.

Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos" ,  Aghia Paraskevi, 15310 Greece