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...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखकों:	Doye, J, Wales, D
स्वरूप:	Journal article
भाषा:	English
प्रकाशित:	1998

समान संसाधन

Thermodynamics and the global optimization of Lennard-Jones clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1998)

Theoretical predictions of structure and thermodynamics in the large cluster regime
द्वारा: Wales, D, और अन्य
प्रकाशित: (1996)

CALCULATION OF THERMODYNAMIC PROPERTIES OF SMALL LENNARD-JONES CLUSTERS INCORPORATING ANHARMONICITY
द्वारा: Doye, J, और अन्य
प्रकाशित: (1995)

Global optimization and the energy landscapes of Dzugutov clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (2001)

Dynamics and thermodynamics of supercooled liquids and glasses from a model energy landscape
द्वारा: Wales, D, और अन्य
प्रकाशित: (2001)

Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms.
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2012)

Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
द्वारा: Wales, D, और अन्य
प्रकाशित: (1997)

On potential energy surfaces and relaxation to the global minimum
द्वारा: Doye, J, और अन्य
प्रकाशित: (1996)

Structural transitions and global minima of sodium chloride clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1999)

Global minima for transition metal clusters described by Sutton-Chen potentials
द्वारा: Doye, J, और अन्य
प्रकाशित: (1998)

Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1997)

Thermodynamics of Community Structure
द्वारा: Massen, C, और अन्य
प्रकाशित: (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
द्वारा: Doye, J, और अन्य
प्रकाशित: (1996)

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

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

Polytetrahedral clusters.
द्वारा: Doye, J, और अन्य
प्रकाशित: (2001)

The dynamics of structural transitions in sodium chloride clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1999)

Structural consequences of the range of the interatomic potential - A menagerie of clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1997)

Saddle Points and Dynamics of Lennard-Jones Clusters, Solids and Supercooled Liquids
द्वारा: Doye, J, और अन्य
प्रकाशित: (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]
द्वारा: Doye, J, और अन्य
प्रकाशित: (2003)

Some Further Results for the Stationary Points and Dynamics of Supercooled Liquids
द्वारा: Wales, D, और अन्य
प्रकाशित: (2003)

AN ORDER-PARAMETER APPROACH TO COEXISTENCE IN ATOMIC CLUSTERS
द्वारा: Doye, J, और अन्य
प्रकाशित: (1995)

The structure of (C-60)(N) clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1996)

The structure and stability of atomic liquids: From clusters to bulk
द्वारा: Doye, J, और अन्य
प्रकाशित: (1996)

Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1995)

Thermally-induced surface reconstructions of Mackay icosahedra
द्वारा: Doye, J, और अन्य
प्रकाशित: (1997)

SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6-ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
द्वारा: Doye, J, और अन्य
प्रकाशित: (1992)

COEXISTENCE AND PHASE-SEPARATION IN CLUSTERS - FROM THE SMALL TO THE NOT-SO-SMALL REGIME
द्वारा: Wales, D, और अन्य
प्रकाशित: (1995)

Relaxation of collective excitations in LJ-13 cluster - Comment
द्वारा: Wales, D, और अन्य
प्रकाशित: (1997)

Programmed thermodynamics/
द्वारा: 435747 Wales, Charles E.
प्रकाशित: (1970)

Structural relaxation in Morse clusters: Energy landscapes
द्वारा: Miller, M, और अन्य
प्रकाशित: (1998)

Comment on "effect of potential energy distribution on the melting of clusters".
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2001)

Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2002)

Equilibrium properties of clusters in the harmonic superposition approximation
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2002)

Quantum partition functions from classical distributions: Application to rare-gas clusters
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2001)

Structural relaxation in atomic clusters: master equation dynamics.
द्वारा: Miller, M, और अन्य
प्रकाशित: (1999)

Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
द्वारा: Calvo, F, और अन्य
प्रकाशित: (2001)

The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
द्वारा: Doye, J, और अन्य
प्रकाशित: (1999)

Evolution of the potential energy surface with size for Lennard-Jones clusters
द्वारा: Doye, J, और अन्य
प्रकाशित: (1999)

What can calculations employing empirical potentials teach us about bare transition-metal clusters?
द्वारा: Wales, D, और अन्य
प्रकाशित: (1996)