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...

Bibliografski detalji
Glavni autori:	Doye, J, Wales, D
Format:	Journal article
Jezik:	English
Izdano:	1998

Slični predmeti

Thermodynamics and the global optimization of Lennard-Jones clusters
od: Doye, J, i dr.
Izdano: (1998)

Theoretical predictions of structure and thermodynamics in the large cluster regime
od: Wales, D, i dr.
Izdano: (1996)

CALCULATION OF THERMODYNAMIC PROPERTIES OF SMALL LENNARD-JONES CLUSTERS INCORPORATING ANHARMONICITY
od: Doye, J, i dr.
Izdano: (1995)

Global optimization and the energy landscapes of Dzugutov clusters
od: Doye, J, i dr.
Izdano: (2001)

Dynamics and thermodynamics of supercooled liquids and glasses from a model energy landscape
od: Wales, D, i dr.
Izdano: (2001)

Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.
od: Calvo, F, i dr.
Izdano: (2012)

Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
od: Wales, D, i dr.
Izdano: (1997)

On potential energy surfaces and relaxation to the global minimum
od: Doye, J, i dr.
Izdano: (1996)

Structural transitions and global minima of sodium chloride clusters
od: Doye, J, i dr.
Izdano: (1999)

Global minima for transition metal clusters described by Sutton-Chen potentials
od: Doye, J, i dr.
Izdano: (1998)

Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters
od: Doye, J, i dr.
Izdano: (1997)

Thermodynamics of Community Structure
od: Massen, C, i dr.
Izdano: (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
od: Doye, J, i dr.
Izdano: (1996)

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

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

Programmed thermodynamics/
od: 435747 Wales, Charles E.
Izdano: (1970)

Polytetrahedral clusters.
od: Doye, J, i dr.
Izdano: (2001)

The dynamics of structural transitions in sodium chloride clusters
od: Doye, J, i dr.
Izdano: (1999)

Structural consequences of the range of the interatomic potential - A menagerie of clusters
od: Doye, J, i dr.
Izdano: (1997)

Saddle Points and Dynamics of Lennard-Jones Clusters, Solids and Supercooled Liquids
od: Doye, J, i dr.
Izdano: (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]
od: Doye, J, i dr.
Izdano: (2003)

Some Further Results for the Stationary Points and Dynamics of Supercooled Liquids
od: Wales, D, i dr.
Izdano: (2003)

AN ORDER-PARAMETER APPROACH TO COEXISTENCE IN ATOMIC CLUSTERS
od: Doye, J, i dr.
Izdano: (1995)

The structure of (C-60)(N) clusters
od: Doye, J, i dr.
Izdano: (1996)

The structure and stability of atomic liquids: From clusters to bulk
od: Doye, J, i dr.
Izdano: (1996)

Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
od: Doye, J, i dr.
Izdano: (1995)

Thermally-induced surface reconstructions of Mackay icosahedra
od: Doye, J, i dr.
Izdano: (1997)

SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6-ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
od: Doye, J, i dr.
Izdano: (1992)

COEXISTENCE AND PHASE-SEPARATION IN CLUSTERS - FROM THE SMALL TO THE NOT-SO-SMALL REGIME
od: Wales, D, i dr.
Izdano: (1995)

Relaxation of collective excitations in LJ-13 cluster - Comment
od: Wales, D, i dr.
Izdano: (1997)

Structural relaxation in Morse clusters: Energy landscapes
od: Miller, M, i dr.
Izdano: (1998)

Comment on "effect of potential energy distribution on the melting of clusters".
od: Calvo, F, i dr.
Izdano: (2001)

Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
od: Calvo, F, i dr.
Izdano: (2002)

Equilibrium properties of clusters in the harmonic superposition approximation
od: Calvo, F, i dr.
Izdano: (2002)

Quantum partition functions from classical distributions: Application to rare-gas clusters
od: Calvo, F, i dr.
Izdano: (2001)

Structural relaxation in atomic clusters: master equation dynamics.
od: Miller, M, i dr.
Izdano: (1999)

Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
od: Calvo, F, i dr.
Izdano: (2001)

The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
od: Doye, J, i dr.
Izdano: (1999)

Evolution of the potential energy surface with size for Lennard-Jones clusters
od: Doye, J, i dr.
Izdano: (1999)

What can calculations employing empirical potentials teach us about bare transition-metal clusters?
od: Wales, D, i dr.
Izdano: (1996)