Marco Locatelli

New global optima for Morse clusters at $\rho=8$

  • Marco Locatelli
  • Fabio Schoen
    • Categories Basic Sciences Applications, Stochastic Approaches Tags , ,

    We recently discovered 5 new putative globally optimum configurations for Morse clusters at $\rho=8$. This report contains some algorithmic details as well as the structures determined with our method. Citation Technical Report DSI 3-2003, Dipartimento di Sistemi e Informatica, Università degli Studi di Firenze, Firenze, 2003. Article Download View New global optima for Morse clusters … Read more

    Efficient Algorithms for Large Scale Global Optimization: Lennard-Jones clusters

  • Marco Locatelli
  • Fabio Schoen
    • Categories Chemical Engineering, Stochastic Approaches Tags , , , , ,

    A standard stochastic global optimization method is applied to the challenging problem of finding the minimum energy conformation of cluster of identical atoms interacting through the Lennard-Jones potential. The method proposed is based on the use of a two-phase local search procedure which is capable of significantly enlarge the basin of attraction of the global … Read more