Lennard-Jones potential

Known as: Lenard-Jones potential, L-J potential, Lenard-Jone 6-12 potential 
The Lennard-Jones potential (also termed the L-J potential, 6-12 potential, or 12-6 potential) is a mathematically simple model that approximates the… (More)
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2015
2015
The accurate atomic potential determination is an essential task in the molecular simulations, e.g. Grand Canonical Monte Carlo… (More)
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2010
2010
Minimizing the Lennard-Jones potential, the most studied molecular conformation problem, is an unconstrained global optimization… (More)
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2009
2009
We consider a classical dilute particle system in a large box with pairinteraction given by a Lennard-Jones-type potential. The… (More)
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2009
2009
The Lennard-Jones(12-6) and the Exponential-6 potential functions are commonly used in computational softwares for describing the… (More)
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2004
2004
All results presented here use the scaled Lennard-Jones potential such that the pair well depth and equilibrium distance are both… (More)
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2004
2004
Technological advances have made FPGAs an attractive platform for the acceleration of complex scientific applications. These… (More)
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2001
2001
The Lennard-Jones potential for an atom inside a conducting spherical cavity is derived. The interest is in possible anomalous… (More)
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Highly Cited
1997
Highly Cited
1997
We describe a global optimization technique using “basin-hopping” in which the potential energy surface is transformed into a… (More)
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1997
1997
Minimizing the Lennard-Jones potential, the most-studied model problem for molecular conformation, is an unconstrained global… (More)
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1992
1992
The Lennard-Jones potential energy function arises in the study of low-energy states of proteins and in the study of cluster… (More)
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