Global Optimization of Morse Clusters by Potential Energy Transformations

The Morse potential is a simple model for the potential energy of atoms with a single parameter that determines the width of the potential well and allows a wide variety of materials to be modeled. Morse clusters are particularly important for applications, but their global optimization is also an e...

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Veröffentlicht in:	INFORMS journal on computing 2004-09, Vol.16 (4), p.371-379
Hauptverfasser:	Doye, Jonathan P. K, Leary, Robert H, Locatelli, Marco, Schoen, Fabio
Format:	Artikel
Sprache:	eng
Schlagworte:	basin-hopping Chemical engineering Computer science Energy global optimization Markov analysis Mathematical models Morse potential Optimization Optimization algorithms Optimization techniques Proteins Studies Test systems two-phase local search
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