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

Optimization by Simulated Annealing

1983 • 42,775 citations

Funnels, pathways, and the energy landscape of protein folding: A synthesis

1995 • 2,607 citations

Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

1987 • 1,419 citations

A dense non-crystallographic packing of equal spheres

1962 • 1,116 citations

Physical cluster mechanics: Statics and energy surfaces for monatomic systems

1971 • 501 citations

Structure and binding of Lennard-Jones clusters: 13≤N≤147

1987 • 452 citations

Event-Based Relaxation of Continuous Disordered Systems

1996 • 447 citations

Taboo Search: An Approach to the Multiple Minima Problem

1995 • 420 citations

Surface structure and energetics of multiply twinned particles

1984 • 390 citations

The effect of the range of the potential on the structures of clusters

1995 • 385 citations

Structural optimization of Lennard-Jones clusters by a genetic algorithm

1996 • 303 citations

Polytetrahedral Order in Condensed Matter

1989 • 258 citations

Use of an eigenmode method to locate the stationary points on the potential energy surfaces of selected argon and water clusters

1993 • 210 citations

Physical cluster mechanics: Statistical thermodynamics and nucleation theory for monatomic systems

1975 • 184 citations

Rearrangements of 55-atom Lennard-Jones and (C60)55 clusters

1994 • 158 citations

Performance of the diffusion equation method in searches for optimum structures of clusters of Lennard-Jones atoms

1991 • 149 citations

A global optimization approach for Lennard-Jones microclusters

1992 • 142 citations

Coexistence of multiple phases in finite systems

1993 • 129 citations

Global geometry optimization of atomic clusters using a modified genetic algorithm in space-fixed coordinates

1996 • 129 citations

Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm

1996 • 125 citations

Minimum-energy configurations of atomic clusters: new results obtained by simulated annealing

1987 • 123 citations

Cluster models made of double icosahedron units

1985 • 119 citations

On potential energy surfaces and relaxation to the global minimum

1996 • 102 citations

A deterministic global optimization approach for molecular structure determination

1994 • 100 citations

Locating stationary points for clusters in cartesian coordinates

1993 • 99 citations

Quantum Monte Carlo study of the thermodynamic properties of argon clusters: The homogeneous nucleation of argon in argon vapor and ‘‘magic number’’ distributions in argon vapor

1985 • 95 citations

Molecular Dynamics on Deformed Potential Energy Hypersurfaces

1995 • 92 citations

Basins of attraction for stationary points on a potential-energy surface

1992 • 80 citations

Improvement on the northby algorithm for molecular conformation: Better solutions

1994 • 68 citations

A parallel build-up algorithm for global energy minimizations of molecular clusters using effective energy simulated annealing

1994 • 66 citations

Simulated annealing using the classical density distribution

1994 • 63 citations

Approximate solution of the classical Liouville equation using Gaussian phase packet dynamics: Application to enhanced equilibrium averaging and global optimization

1993 • 61 citations

Genetic algorithms: A robust scheme for geometry optimizations and global minimum structure problems

1995 • 52 citations

Nonlinear optimization simplified by hypersurface deformation

1988 • 51 citations

Cluster optimization simplified by interaction modification

1990 • 49 citations

Comparison study of pivot methods for global optimization

1997 • 45 citations

Pivot method for global optimization

1997 • 42 citations

The protein folding problem and tertiary structure prediction

1995 • 41 citations

Performance of the shift method of global minimization in searches for optimum structures of clusters of Lennard-Jones atoms

1992 • 30 citations

Archimedean polyhedron structure yields a lower energy atomic cluster

1996 • 28 citations

Finding Minimum-Energy Configurations of Lennard-Jones Clusters Using an Effective Potential

1997 • 28 citations

Cluster structure determination using Gaussian density distribution global minimization methods

1994 • 28 citations

New conformational search method based on local torsional deformations for cyclic molecules, loops in proteins, and dense polymer systems

1996 • 24 citations

On the stability of conformers

1994 • 17 citations

A new approach to global minimization

1997 • 16 citations

Restricted random search method based on taboo search in the multiple minima problem

1997 • 16 citations