Global Optimization For Molecular Clusters Using A New Smoothing Approach

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

The Journal of Physical Chemistry A · 1997 · 2.9K citations · Full text

Physical cluster mechanics: Statics and energy surfaces for monatomic systems

M. R. Hoare, Poorna C. Pal · Advances In Physics · 1971 · 500 citations

Structure and binding of Lennard-Jones clusters: 13≤<i>N</i>≤147

J. A. Northby · The Journal of Chemical Physics · 1987 · 457 citations

Crystal Structure, Engineering, Computational Chemistry +18

A modular system of algorithms for unconstrained minimization

Robert B. Schnabel, John E. Koonatz, Barry E. Weiss · ACM Transactions on Mathematical Software · 1985 · 196 citations

Mathematical Programming, Numerical Analysis, Large-scale Global Optimization +17

Thermodynamics and the global optimization of Lennard-Jones clusters

The Journal of Chemical Physics · 1998 · 175 citations · Full text