Curriculum Vitae

I was born 6 march 1969 in Groningen, the Netherlands.

In 1992, I graduated in Chemistry with specialization Physical Chemistry at the
University of Groningen. My research project was the calculation of multicomponent
diffusion constants using non-equilibrium molecular dynamics, supervized by
Prof. Herman J.C. Berendsen.

From 1993-1997 I was a PhD student at the molecular dynamics group at the
University of Groningen, working on the statistical mechanics of fluids, supervized by
 Prof. Berendsen. In june 1997 I obtained my PhD in Chemistry based on the Thesis
"The quasi-Gaussian entropy theory. Temperature dependence of thermodynamic properties
using distribution functions."

From 1997-1998 I worked at the molecular dynamics group of Prof. Alfredo Di Nola at the
Chemistry Department  of the University of Rome "La Sapienza" as a postdoc researcher,
again on the statistical mechanics of fluid systems.

Since 1998 I am working for 2 years as a postdoc with a European TMR fellowship
in Prof. Di Nola's group on the quasi-Gaussian entropy (QGE) theory.

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Research

My interests are in the field of statistical mechanics and molecular simulations
of fluid systems.

At the moment I am working - together with Andrea Amadei - on the development of
equations of state for fluid systems, based on statistical mechanics, and especially on the
quasi-Gaussian entropy (QGE) theory. This is a kind of macroscopic fluctuation theory that
uses probability density functions of fluctuations of "instantaneous" macroscopic properties
(like energy U, enthalpy H, volume V or particle number N) to obtain free energy changes.
In this way the thermodynamic equilibrium properties of the system (and their dependence
on the intensive properties) can be described in terms of these probability distributions, instead
of the partition function, which is a complicated high-dimensional integral.

A schematic representation of the pVT-surface of water is given above. At the moment we are
trying to develop an equation of state to provide all equilibrium thermodynamic properties as a
function of pressure p, temperature T and density N/V.

See also the special QGE pages.

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Publications

 1) D. van der Spoel, H.J.C. Berendsen, A.R. van Buuren, E. Apol, P.J. Meulenhoff,
      A.L.T.M. Sijbers and R. van Drunen.
      Gromacs User Manual.
     University of Groningen (1995).

 2) A. Amadei, M. E. F. Apol, A. Di Nola and H. J. C. Berendsen.
      The quasi-Gaussian entropy theory: free energy calculations based on the potential energy
      distribution.
      J. Chem. Phys. 104, 1560-1574 (1996).  [ Postscrip version ]

 3) M. E. F. Apol, A. Amadei and H. J. C. Berendsen.
      Application of the quasi-Gaussian entropy theory to the calculation of thermodynamic
      properties of water and methane in the liquid and gas phase.
      J. Chem. Phys. 104, 6665-6678 (1996).  [ Postscrip version ]

 4) M. E. F. Apol, A. Amadei and H. J. C. Berendsen.
      Derivation of a thermodynamic closure relation in the isothermal-isobaric ensemble using
      the quasi-Gaussian entropy theory.
      Chem. Phys. Lett. 256, 172-178 (1996).  [ Postscrip version ]

 5) A. Amadei, D. Roccatano, M. E. F. Apol, H. J. C. Berendsen and  A. Di Nola.
      Prediction of the liquid-vapor equilibrium pressure using the quasi-Gaussian entropy theory.
      J. Chem. Phys. 105, 7022-7025 (1996).  [ Postscrip version ]

 6) A. Amadei, M. E. F. Apol and H. J. C. Berendsen.
      Extensions of the quasi-Gaussian entropy theory.
      J. Chem. Phys. 106, 1893-1912 (1997).  [ Postscrip version ]

 7) M. E. F. Apol
      The quasi-Gaussian entropy theory. Temperature dependence of thermodynamic
      properties using distribution functions.
      PhD. Thesis, University of Groningen (1997).  [ PDF version ]

 8) A. Amadei, M. E. F. Apol and H. J. C. Berendsen.
      On the use of the quasi-Gaussian entropy theory in non-canonical ensembles. I.
      Temperature dependence of thermodynamic properties.
      J. Chem. Phys. 109, 3004-3016 (1998).  [ Postscrip version ]

 9) M. E. F. Apol, A. Amadei and H. J. C. Berendsen.
      On the use of the quasi-Gaussian entropy theory in non-canonical ensembles. II.
      Density dependence of thermodynamic properties.
      J. Chem. Phys. 109, 3017-3027 (1998).  [ Postscrip version ]

10) D. Roccatano, A. Amadei, M. E. F. Apol, A. Di Nola and H. J. C. Berendsen.
       Application of the quasi-Gaussian entropy theory to molecular dynamics simulations
       of Lennard-Jones fluids.
       J. Chem. Phys.  109, 6358-6363 (1998).

11) E. J. W. Wensink, A. C. Hoffmann and M. E. F. Apol.
      The effect of adsorbed moisture on interparticle forces, investigated by means of
      MD simulations.
      Proceedings of the World Conference on Particle Technology 3, Brighton, UK,
      July 1998.

12) A. Amadei, M. E. F. Apol, G. Chillemi, H. J. C. Berendsen and A. Di Nola.
      Derivation of a general fluid equation of state based on the quasi-Gaussian entropy theory:
      application to the Lennard-Jones fluid.
      Mol. Phys.  96, 1469-1490 (1999).

13) M. E. F. Apol, A. Amadei, H. J. C. Berendsen and A. Di Nola.
        Derivation of thermal equations of state for quantum systems using the quasi-Gaussian
        entropy theory.
        J. Chem. Phys. 111, 4431--4441 (1999).

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Related publications

 1) A. Amadei.
      Theoretical models for fluid thermodynamics based on the quasi-Gaussian entropy theory.
       PhD. Thesis, University of Groningen (1998).  [ Postscrip version ]

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Other interests

My other interests concern among others:

       Music: I play oboe, recorder, accordion, kaval and ney (Bulgarian and Turkish
            shepherd-flutes), both classical and traditional music.

       Pop music: one of my favorite singers is Fay Lovsky; also Robert Wyatt and the Soft Machine,
            Yes, Pink Floyd.

Great albums by Fay Lovsky...   Below: the Soft Machine...

       Folkloristic dance: I enjoy very much Bulgarian, Romanian and Hungarian folkloristic
            music and dances. I have been a member of Hai la Joc, a folkloristic dance group in
            Groningen.  Here are some nice examples.

                Traditional Bulgarian costumes and dances

              Traditional dance from Kalotaszeg (Transsylvania, Romania)

              Traditional male dance "Legenyes" from Kalotaszeg (Transsylvania, Romania)

                 Traditional dance "Csardas" from Szegelyfold (Transsylvania, Romania)

                Traditional dances from Szek (Transsylvania, Romania)
 

       Mushrooms and lichens:
            Some very nice examples of lichens (a symbiosis of a fungus and an alga) are:

                   Cladonia  verticillaris                                           Parmelia  acetabulum

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How to reach me

Emile Apol     c/o Prof. A. Di Nola
Dept. of Chemistry
University of Roma "La Sapienza"
P.le Aldo Moro 5
00185 Rome
tel: +39-06-49913308
fax: +39-06-490324
email: apol@gauguin.chem.uniroma1.it or   apol@chem.rug.nl

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Back to Di Nola's molecular dynamics group home page

To the Groningen molecular dynamics home page

Visit Hanzeweb

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Useful references