A First Finishing Line and Some Provisional Conclusions

  • Giovanni Battimelli
  • Giovanni CiccottiEmail author
  • Pietro Greco
Part of the The Frontiers Collection book series (FRONTCOLL)


Around the mid-80s, molecular simulation had gone beyond the pioneering stage and had acquired the status of an established research area. It had been proved that a wide range of problems in the theoretical physics of the structure of matter could be faced and successfully solved in a computational way. As far as classical statistical mechanics was concerned, starting from the first pioneering attempts on simple and scarcely realistic models, such as the hard-sphere model, scientists went on to simulate clusters of simple atoms, and with a growing organizational complexity, more and more sophisticated molecules, until they addressed the problem of large biological molecules.

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© Springer Nature Switzerland AG 2020

Authors and Affiliations

  • Giovanni Battimelli
    • 1
  • Giovanni Ciccotti
    • 1
    • 2
    • 3
    Email author
  • Pietro Greco
    • 4
  1. 1.Department of PhysicsSapienza University of RomeRomeItaly
  2. 2.IAC “Mauro Picone” CNRRomeItaly
  3. 3.School of PhysicsUniversity College of DublinDublinIreland
  4. 4.Città della ScienzaNaplesItaly

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