Thermodynamics of global optimization

Thermodynamics of global optimization

Theoretical design of global optimization algorithms can profitably utilize recent statistical mechanical treatments of potential energy surfaces (PES's). Here we analyze a particular method to explain its success in locating global minima on surfaces with a multiple-funnel structure, where tra...

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Bibliografiske detaljer
Main Authors:	Doye, J, Wales, D
Format:	Journal article
Sprog:	English
Udgivet:	1998

Lignende værker

Thermodynamics and the global optimization of Lennard-Jones clusters
af: Doye, J, et al.
Udgivet: (1998)

Theoretical predictions of structure and thermodynamics in the large cluster regime
af: Wales, D, et al.
Udgivet: (1996)

CALCULATION OF THERMODYNAMIC PROPERTIES OF SMALL LENNARD-JONES CLUSTERS INCORPORATING ANHARMONICITY
af: Doye, J, et al.
Udgivet: (1995)

Global optimization and the energy landscapes of Dzugutov clusters
af: Doye, J, et al.
Udgivet: (2001)

Dynamics and thermodynamics of supercooled liquids and glasses from a model energy landscape
af: Wales, D, et al.
Udgivet: (2001)

Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.
af: Calvo, F, et al.
Udgivet: (2012)

Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
af: Wales, D, et al.
Udgivet: (1997)

On potential energy surfaces and relaxation to the global minimum
af: Doye, J, et al.
Udgivet: (1996)

Structural transitions and global minima of sodium chloride clusters
af: Doye, J, et al.
Udgivet: (1999)

Global minima for transition metal clusters described by Sutton-Chen potentials
af: Doye, J, et al.
Udgivet: (1998)

Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters
af: Doye, J, et al.
Udgivet: (1997)

Thermodynamics of Community Structure
af: Massen, C, et al.
Udgivet: (2006)

The effect of the range of the potential on the structure and stability of simple liquids: From clusters to bulk, from sodium to C-60
af: Doye, J, et al.
Udgivet: (1996)

Effect of compression on the global optimization of atomic clusters
af: Doye, J
Udgivet: (2000)

Physical perspectives on the global optimization of atomic clusters
af: Doye, J
Udgivet: (2006)

Programmed thermodynamics/
af: 435747 Wales, Charles E.
Udgivet: (1970)

Polytetrahedral clusters.
af: Doye, J, et al.
Udgivet: (2001)

The dynamics of structural transitions in sodium chloride clusters
af: Doye, J, et al.
Udgivet: (1999)

Structural consequences of the range of the interatomic potential - A menagerie of clusters
af: Doye, J, et al.
Udgivet: (1997)

Saddle Points and Dynamics of Lennard-Jones Clusters, Solids and Supercooled Liquids
af: Doye, J, et al.
Udgivet: (2001)

Comment on ``Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids'' [J. Chem. Phys. 116, 10297 (2002); cond-mat/0203301]
af: Doye, J, et al.
Udgivet: (2003)

Some Further Results for the Stationary Points and Dynamics of Supercooled Liquids
af: Wales, D, et al.
Udgivet: (2003)

AN ORDER-PARAMETER APPROACH TO COEXISTENCE IN ATOMIC CLUSTERS
af: Doye, J, et al.
Udgivet: (1995)

The structure of (C-60)(N) clusters
af: Doye, J, et al.
Udgivet: (1996)

The structure and stability of atomic liquids: From clusters to bulk
af: Doye, J, et al.
Udgivet: (1996)

Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
af: Doye, J, et al.
Udgivet: (1995)

Thermally-induced surface reconstructions of Mackay icosahedra
af: Doye, J, et al.
Udgivet: (1997)

SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6-ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
af: Doye, J, et al.
Udgivet: (1992)

COEXISTENCE AND PHASE-SEPARATION IN CLUSTERS - FROM THE SMALL TO THE NOT-SO-SMALL REGIME
af: Wales, D, et al.
Udgivet: (1995)

Relaxation of collective excitations in LJ-13 cluster - Comment
af: Wales, D, et al.
Udgivet: (1997)

Structural relaxation in Morse clusters: Energy landscapes
af: Miller, M, et al.
Udgivet: (1998)

Comment on "effect of potential energy distribution on the melting of clusters".
af: Calvo, F, et al.
Udgivet: (2001)

Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
af: Calvo, F, et al.
Udgivet: (2002)

Equilibrium properties of clusters in the harmonic superposition approximation
af: Calvo, F, et al.
Udgivet: (2002)

Quantum partition functions from classical distributions: Application to rare-gas clusters
af: Calvo, F, et al.
Udgivet: (2001)

Structural relaxation in atomic clusters: master equation dynamics.
af: Miller, M, et al.
Udgivet: (1999)

Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
af: Calvo, F, et al.
Udgivet: (2001)

The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
af: Doye, J, et al.
Udgivet: (1999)

Evolution of the potential energy surface with size for Lennard-Jones clusters
af: Doye, J, et al.
Udgivet: (1999)

What can calculations employing empirical potentials teach us about bare transition-metal clusters?
af: Wales, D, et al.
Udgivet: (1996)