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• W2043131195 abstract "A taboo search for minima on a potential energy surface (PES) is performed by means of confinement molecular dynamics: the molecular dynamics trajectory of the system is successively confined to various basins on the PES that have not been sampled yet. The approach is illustrated for a 13-atom Lennard-Jones cluster. It is shown that the taboo search radically accelerates the process of surveying the PES, with the probability of finding a new minimum defined by a propagating Fermi-like distribution." @default.
• W2043131195 created "2016-06-24" @default.
• W2043131195 creator A5042022651 @default.
• W2043131195 date "2001-08-27" @default.
• W2043131195 modified "2023-09-25" @default.
• W2043131195 title "Taboo search by successive confinement: Surveying a potential energy surface" @default.
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• W2043131195 doi "https://doi.org/10.1103/physreve.64.036703" @default.
• W2043131195 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11580478" @default.
• W2043131195 hasPublicationYear "2001" @default.
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