A First Finishing Line and Some Provisional Conclusions
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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.