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Fast Global Optimization of Difficult LennardJones Clusters
 Computational Optimization and Applications
, 2000
"... . The minimization of the potential energy function of LennardJones atomic clusters has attracted much theoretical as well as computational research in recent years. One reason for this is the practical importance of discovering lowenergy configurations of clusters of atoms, in view of applications ..."
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Cited by 15 (5 self)
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. The minimization of the potential energy function of LennardJones atomic clusters has attracted much theoretical as well as computational research in recent years. One reason for this is the practical importance of discovering lowenergy configurations of clusters of atoms, in view
Entropic effects on the structure of LennardJones clusters
 J. Chem. Phys
"... We examine in detail the causes of the structural transitions that occur for those small LennardJones clusters that have a nonicosahedral global minima. Based on the principles learned from these examples we develop a method to construct structural phase diagrams that show in a coarsegrained mann ..."
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Cited by 2 (0 self)
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We examine in detail the causes of the structural transitions that occur for those small LennardJones clusters that have a nonicosahedral global minima. Based on the principles learned from these examples we develop a method to construct structural phase diagrams that show in a coarse
TITLE: Global Optimization of the LennardJones Atomic Cluster
, 2002
"... The LennardJones problem is defined as finding the coordinates of a system in threedimensional Euclidian space that represents a potential energy minimum. LennardJones potential energy plays a key role in determining the stability of crowed and highly branched molecules such as proteins. The mai ..."
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propose a deterministic global optimization approach, which is a combination of direct search methods with local heuristics, in the aim of finding the global optimal energy configuration of LennardJones microclusters. With our methods, global optima are located for microclusters of 2 to 30 atoms
A Global Optimization Approach for LennardJones Microclusters
 J. Chem. Phys
, 1992
"... A global optimization approach is proposed for finding the global minimum energy configuration of LennardJones microclusters. First, the original nonconvex total potential energy function, composed by rational polynomials, is transformed to the difference of two convex functions (DC transformation ..."
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Cited by 20 (6 self)
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A global optimization approach is proposed for finding the global minimum energy configuration of LennardJones microclusters. First, the original nonconvex total potential energy function, composed by rational polynomials, is transformed to the difference of two convex functions (DC
LennardJones quark matter and massive quark stars
, 905
"... To understand the nature of pulsars we need to know the state of cold quark matter, in which the dominant degree of freedom is quarks, and their Fermi energy is much larger than their thermal energy. However, this is a difficult task ..."
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To understand the nature of pulsars we need to know the state of cold quark matter, in which the dominant degree of freedom is quarks, and their Fermi energy is much larger than their thermal energy. However, this is a difficult task
Quark stars composed of LennardJones matter
, 905
"... To understand the nature of pulsars we need to know the state of matter at supranuclear density. However, this is a difficult task because of (i) the nonperturbative effect of the strong interaction between quarks at low energy scale and ..."
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To understand the nature of pulsars we need to know the state of matter at supranuclear density. However, this is a difficult task because of (i) the nonperturbative effect of the strong interaction between quarks at low energy scale and
An infeasible point method for minimizing the LennardJones potential
 Computational Optimization and Applications
, 1996
"... Minimizing the LennardJones potential, the moststudied model problem for molecular conformation, is an unconstrained global optimization problem with a large number of local minima. In this paper, the problem is reformulated as an equality constrained nonlinear programming problem with only linear ..."
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Cited by 4 (1 self)
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Minimizing the LennardJones potential, the moststudied model problem for molecular conformation, is an unconstrained global optimization problem with a large number of local minima. In this paper, the problem is reformulated as an equality constrained nonlinear programming problem with only
Fast Parallel Algorithms for ShortRange Molecular Dynamics
 JOURNAL OF COMPUTATIONAL PHYSICS
, 1995
"... Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of interatomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dyn ..."
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Cited by 622 (6 self)
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. The algorithms are tested on a standard LennardJones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers  the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray YMP and C90 algorithm shows
An Infeasible Point Method for Minimizing the LennardJones Potential⁄
, 1993
"... Abstract. Minimizing the LennardJones potential, the moststudied model problem for molecular conformation, is an unconstrained global optimization problem with a large number of local minima. In this paper, the problem is reformulated as an equality constrained nonlinear programming problem with o ..."
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Abstract. Minimizing the LennardJones potential, the moststudied model problem for molecular conformation, is an unconstrained global optimization problem with a large number of local minima. In this paper, the problem is reformulated as an equality constrained nonlinear programming problem
Results 1  10
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659,316