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Multiscale Molecular Modeling
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MOSE Staff
Maurizio Fermeglia
Room 34 - Building B
+39 040 5583438
Full list of Maurizio Fermeglia publications
Full list of Maurizio Fermeglia conference

  • Maurizio Fermeglia was born in Trieste, October 9th 1955 and lives in San Dorligo della Valle (TS) in località Bagnoli 594.
  • He graduated from high school ‘Liceo Scientifico Oberdan’ in Trieste in 1974.
  • He got a fellowship for the 'National School of  Structure of Matter of GNSM, Perugia, Italy from 27.8 to 8.9.1979.
  • Maurizio Fermeglia graduated in Chemical Engineering at the Engineering Faculty of the University of Trieste in February 1980 with 110/110 e lode with a thesis on the three phase equilibria for fluid phases. The thesis was performed at DIPE/CER Montedison industrial laboratories in Bollate (MI).
  • From April 22 1980 to 22 July 1981 he served the Italian Army in the Alpine Infantry with a san officer. He is now a Captain of the reserve.
  • In the period from September, 2, 1981 to December, 20, 1982 he worked as visiting scientist at the Denmark Technical University (DTH) of Lyngby with Prof. J. Mollerup, Prof. Fredenslund and Prof. Rasmussen on the development of a new equation of state.
  • He got the position of researcher (assistant professor) at the Faculty of Engineering of the University of Trieste on April, 22, 1983.
  • He passed the exam for the profession of chemical engineer in 1985.
  • In April, 22, 1986 he got the permanent position as assistant professor at the University of Trieste.
  • In November 1992, he became associate professor of Chemical Engineering in the area of Chemical engineering principles.
  • From 1993 to 2006 he has been a member of the phd school of Chemical engineering of the Universities of Padova and Trieste.
  • From 1998 to 2003 he is delegate of the rector of the University of Trieste for informatics.
  • From 1998 to 2008 he is scientific consultant of ICS-UNIDO for the activities related to Process simulation included in the sub programmes of Environment and Sustainable development.
  • In March 2002 he became full professor of chemical engineering at the University of Trieste in the area of Chemical Engineering Principles.
  • From 7 marzo 2003 he is IUPAC Fellow.
  • In 2003 he was included in the list of referees for scientific and research projects for the region Friuli Venezia Giulia.
  • In  2004 he was the President of the local committee for the evaluation of the research activity of the University of Trieste for the area of Industrial and Informatics Engineering.
  • From 2007 he is a member of the gradaute school of nanotechnology of the University of Trieste.
  • From 2006 he is the director of the Department of Chemical, environmental and raw materials Engineering (DICAMP) of the University of Trieste
  • From 2007 he is the director of the graduate school of nanotechnology of the University of Trieste
  • From 2009 he is scientific consultant of UNEP / MAP for PRTR projects implementation.
Teaching activity
  • From 22 April 1983 to 31 October 1992 he collaborated in teaching the following courses at the university of Trieste: Physics, Physical Chemistry, Calculus, Chemical engineering principles, Chemical plants, Thermodynamic and transport properties, Design of unit operations. In the same period he also supervised several master thesis in chemical engineering at the University of Trieste and Padova. He also supervised foreign students in the Erasmus project.
  • His teaching activity at the University of Trieste after 1992 is the following:
    • Chemical Engineering Principles II from 1990 to 1998.
    • Chemical Engineering Principles from 1997 to 2003.
    • Chemical Reaction Engineering I and II from 2002 to now.
    • Process Simulation from 2003 to 2006.
    • Data Base Design from 1994 to now.
    • Data Base design II from 2004 to now
    • Software engineering for heath care from 1997 to 2002.
    • Data base design for the elearning diploma from 1997 to now.
    • Informatics systems from 2000 to 2004 for the Master in Net Economy and E-government.
    • Informatics systems and Electronic Calculus III for the elearning diploma from 2000 to now.
  • He supervised from 1992 a large number of students in Chemical Engineering and Informatics Engineering (see list at ).
  • He gave several seminars, lectures and  training courses in the framework of the phd program in Chemical engineering of the university of Padova and Trieste and for the nanotechnology graduate school in Trieste
  • He presented several seminars and training courses for Industries: "Phase Equilibrium thermodynamics " for ENICHEM ANIC in Alghero from 9 to 13 December 1985 and from 20 to 24 January 1986; for Montedipe Mantova, Zanussi Pordenone and Glaxo Verona. He gave an entire course on molecular modeling for Caffaro in Torviscosa (UD), Accelrys (Paris and Atehns)..
  • He is consultant of ICS-UNIDO in the filed of Process Simulation and Data base design form 1998 and he organized and gave lectures in several training activities, export group meeting s and seminars.
  • He is reviewer of the following journals: AIChE Journal, Industrial Engineering Chemistry, Fluid Phase Equilibria, J. Chem. Eng. Data, Chemical Engineering Science, J. Supercritical Fluids, Polymers, Polymers and Polymer Composites, Fuel Cells, Fluid Phase equilibria, J.Phys.Chem B,.
  • He contributed to the setup of pollution Release and transfer registers (PRTR) in several developing and emerging countries in the areas of Mediterranean and in South America.

Research activity:

His research activity is carried out at the ‘Dipartimento di Ingegneria Chimica, dell'Ambiente e delle Materie Prime’ (DICAMP) of the Engineering Faculty of the University of Trieste. The main research activities are focused on transport and thermodynamic properties, their experimental determination, correlation and prediction. In this field, he has done experimental work in the determination of phase equilibria (vapour - liquid, liquid - liquid and gas -liquid) data, correlation and prediction of experimental data by means of different models (excess Gibbs energy models and equations of state), application of the models to the simulation of chemical processes (steady state and dynamic). He is also active in the field of molecular modelling for the determination of physical properties of solid and fluid materials.
Particularly he is active in the area of Nanotechnology and Life science with techniques of multiscale molecular modelling.
<br> The research activity can be summarized in the following areas:

  1. Experimental determinations
    1. Experimental determination of phase equilibrium
    2. Data collection
    3. Experimental determination of transport properties
  2. Multiscale molecular modeling
    1. Thermo physical properties for refrigerants and organics
    2. Thermo physical properties for polymers and polymer systems including blends
    3. Transport properties for polymers
    4. Nanotechnology and nanocomposites
    5. Chemical reaction engineering
    6. Molecualr Modeling for biological systems
  3. Chemical engineering thermodynamics
    1. Excess Gibbs energy models development
    2. Equations of state development
    3. Thermodynamics of polymer systems and gels
  4. Process engineering
    1. Traditional processes
    2. Non traditional processes
In computer science his main research activity is in the Data Base and Internet fields, where he is considering the different aspects and possibilities of publishing data base information in the WWW.

Invited talks









EU Nanotechnology Science Forum


Athens, G

October 7, 2005

Mesoscale Modeling for Polymer systems of industrial interest

Fermeglia M.


International meeting on polymer modelling and its industrial applications

University of Boras

Boras, S

June 6-8, 2005

Multiscale modeling for polymer systems of industrial interest

Fermeglia M.


Extraction Technologies for Medicinal and Aromatic Plants


Lucknow, India

November 28 - December 2, 2006

Role of Process simulation to extraction technologies for MAPs

Fermeglia M.


Nanotechnology in Israel

Nanotech Israel

Haifa, Israel

December 17, 2007

Multiscale modelling of nanostructured polymer systems of industrial interest

Fermeglia M.


Coating Science International - COSI 2006

Coating Science International

Noordwijk, NL

June 26 – June 30, 2006

Multiscale modeling for polymer systems of industrial interest

Fermeglia M., Pricl S.


18th European Symposium on Computer Aided Process Engineering


Lyon, F

June 1-4, 2008

Multiscale molecular modeling: a tool for the design of nano structured materials.

Fermeglia M. , Pricl S.


Drug Design and Discovery for Developing Countries


Trieste, I

July 3-5, 2008

Multiscale molecular strategies for drug delivery

Fermeglia M., Pricl S.


5th Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean Countries

University of Cosenza

Cetraro, I

May 24-29, 2008

Multiscale molecular modeling for nanostructured materials

Fermeglia M., Pricl S.


DPD: addressing deficiencies and establishing new frontiers - CECAM


 Lausanne, CH

July 16-18, 2008

Message –passing multiscale molecular modeling: mapping atomistic to mesoscale simulation

Fermeglia M., Pricl S.


International Seminar on Multiscale Modeling of Polymer Materials

National Technical University of Norway

Trondheim, N

October 13-14, 2008

Multiscale molecular modelling of nanostructured polymer systems of industrial interest

Fermeglia M.


Proceedings of the IUTAM Symposium


Aalborg, DK

May 19-22, 2008

Multiscale molecular modelling of dispersion of nanoparticles in polymer systems of industrial interest

Fermeglia M., Pricl S.


Accelrys Science Forum 2009


Paris, F

July 2, 2009

Molecular modeling for nanostructured polymer systems of industrial interest

Fermeglia M.


AIChE Annual Meeting 2010, American Institute of Chemical Engineering,


Salt Lake City, US

November 7-12, 2010

Multiscale Molecular Modeling of Polymer/Silica Nanocomposites

Fermeglia M, Posocco P., Pricl S., Handgraaf J.W.


6th Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean Countries

Sabancı University, Istanbul

Antalya, T

March 7-12, 2010

Multiscale molecular modeling for nanostructured and hybrid inorganic/organic materials

Fermeglia M.


SimMolMod 2011


Dortmund, D

September 15-16, 2011

Nano tools for macro problems: multiscale molecular modeling of polymer nanocomposites

Fermeglia M., Pricl S.


MULT-EU-SIM satellite Workshop at TNT2011

TNT 2011, Phantoms Foundation

Tenerife, S

November 21-25, 2011

Nano tools for macro problems: multiscale molecular modeling of nanostrucured systems

Fermeglia M.


Towards a multi-scale, multi-phenomena modelling-simulation-design-engineering environment & tools

DG Research and Innovation, European Commission

Brussels, B

September 22, 2011

Opportunities and challenges from HPC and research

Fermeglia M.


POZNAN 2011: Summer Symposium on Nanomaterials and their application to Biology and Medicine

Adam Mickiewicz University

Poznan, P

June 13-16, 2011

Multiscale molecular modelling for the design of nanostructures in materials and life sciences

M. Fermeglia


2nd Nanosymposium on Nanomaterials.

Adam Mickiewicz University,


June 20-24, 2012

Multiscale molecular modeling: a virtual microscope for material and life science

Fermeglia M.


7th Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean Countries


Corfu Island Greece

April 27-May 1, 2012

Multiscale molecular modeling for the design of materials in the nano-bio-based economy

Fermeglia M.,  Pricl S.

Research project:

He was the coordinator of several research projects, among the others:

  • High pressure phase equilibrium calculations (87-88-89-90);
  • Software development for chemical engineering (91-92-93);
  • Phase equilibrium for biological processes (94-95-96-97);
  • Prediction of thermo physical properties by molecular dynamics and equations of state (98-99-2000-2001-2002).
  • Chemical and biochemical process optimisation (96-97);
  • Thermo physical property prediction by molecular dynamics for industrially important compounds (98);
  • Quantum mechanics methods for the determination of thermo physical properties (99-2000).
  • Thermo physical properties of polymer systems for pharmaceutical, food and packaging industry (98-99 and 02-06).
  • Molecular dynamics and Monte Carlo simulation for the determination of thermo physical properties in polymeric films (00-01).
  • Theory modeling and Simulation for mesoscopic systems: application to nanocomposite. (02-04).
  • Optimization of packaging polyester materials through morphology control: nanocomposites and nanostructured coatings (05-06).
  • Multiscale molecular modeling of selective membranes: prediction of structure and properties (08-10).

He participated as local coordinator in the following European projects:
  • MOMO: Innovative Molecular modeling approach to up grade polymeric materials from post industrial rejects, FP6: 2004 – 2006.
  • MULTIPRO: Design of ‘tailor to made’ MULTIfunctional organic material by molecular modeling of structure property relationship, experimentation and PROcessing: FP6: 2006-2008.
  • MULTYHYBRID: Innovative sensor-based procesing technology of nanoscrutured multifunctioanl hybrids and composites, FP6: 2006-2009.
  • NANOMODEL: Multi-Scale Modelling of Nano-Structured Polymeric Materials: From Chemistry to Materials Performance, FP7, 2008-11


  • ENI ricerche: with Giorgio Soave in the development of equations op state for supercritical fluid extraction
  • ALDER (TS): in the simulation of the adsorption process of methanol from formaldehyde.
  • Montedipe Mantova in the development of computer codes for chemical engineering.
  • Lyngby University(DK): with proff. Fredenslund, Rasmussen e Mollerup in modeling fluid phase equilibrium
  • Pennsylvania State Universityr(USA) with prof. Ron Danner in the field of polymeric systems
  • University of Marseille (FR) with prof. Neau e Peneloux in the development of equations of state
  • Prague Academy of Science (Czech Republic) with dr. Aim in the data collection and model development.
  • Enichem, Marghera (ing. Paola Volpe) in the process simulation
  • Industria Caffaro (dr. Pietro Delogu) in the process simulation and molecular modelling
  • AspenTech (dr. Valentijn DeLeeuw) in developing software for process simulators
  • ICS-UNIDO in process simulation (ing. Longo) and molecular modeling (dr. Miertus)
  • Insiel Treiste in the development of software application for civic inforamtic
  • Adriacom for the development of informatics system