Juan Antonio Anta's home page



Hi colleages, welcome to my personal home page. Just scroll down for a summary of my research career and interests as well as some other stuff.
 

Scientific Career:

I got my degree in Physical Chemistry in the Universidad Complutense de Madrid in 1992. Also in this year I joined the Fluid Theory Group at the Instituto "Rocasolano" ( Consejo Superior de Investigaciones Cientificas ) where I worked till the beginning of 1997 as a Ph.D. Student.

In March 1997 I had my viva with a thesis entitled "Theory and simulation of phase transitions in simple and molecular fluids". . This thesis deals basically with the problem of describing gas-liquid and liquid-liquid phase equilibria by means of Monte Carlo simulation and integral-equation theories.

During my Ph.D. period I visited a coupled of times the Institut of Theoretical Physics in the Technical University of Vienna , under the direction of Prof. Gerhard Kahl. Part of my thesis, especially the work related to three-body forces was made there.

In April 1997 I moved to Oxford for a postdoctoral stay, I worked with Prof. Paul Madden of the Physical and Theoretical Chemistry Laboratory . In Oxford I worked on first-principles simulation of liquid metals (the Orbital-Free method) as well as on pseudopotential generation methods and integral-equations theories of application to this sort of systems.

My postdoctoral stay in Oxford finished in March 1999, when I moved to the Imperial College, London to join Nick Quirke's group.
 
 
 
 

Current research interests:
 

  • Computer simulation of electronic transport in amorphous insulating materials.
  • Liquid metals: density-functional-theory-like approaches.
  • Three-body forces and effective pair potentials.

  • At the moment I'm trying to develope a conductivity model that predicts the current-voltage properties of an amorphous insulating material like polyethylene. This material possesses an enormous importance in industry as it is used to manufacture the insulation devices of high-power cables. The insulating properties of polyethylene in the presence of high electrical fields as a function of time are not well-known. We use computer simulation to describe the process of charge tranport in polyethylene and similar materials.
     

    Selected publications:
     

  • "On the use of a non-additive references system in a RHNC calculation of the structure of a binary liquid", J. A. Anta and G. Kahl, Mol. Phys. , 84 1273 (1995)
  • "Gas-Liquid Coexistence Properties from Reference Hypernetted Chain Theory for Linear Polar Solvents", J. A. Anta, E. Lomba, M. Alvarez, M. Lombardero and C. Martín, J. Phys. Chem. B , 101 1451-1459 (1997)
  • "Influence of three-body forces on the gas-liquid coexistence of simple fluids: the phase equilibrium of argon", J. A. Anta, E. Lomba, and M. Lombardero, Phys. Rev. E , 55 2707-2712 (1997)
  • "Ion-electron correlations in liquid metals from orbital-free ab initio molecular dynamics", J. A. Anta, B. J. Jesson and P. A. Madden, Phys. Rev. B , 55 2707-2712 (1998)
  • "Structure and dynamics of liquid lithium: comparison of ab initio molecular dynamics predictions with scattering experiments" , J. A. Anta and P. A. Madden, J. Phys.: Condens. Matter , 11 6099-6111 (1999)

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    Non-scientific writing


     

    All those lovely places...


    Cercedilla (Spain)
     


    Cliffs of Moher (Ireland)


    Vienna (Austria)


    Bled (Slovenia)