Structural optimization of Lennard-Jones clusters by a genetic algorithm

D. M. Deaven; N. Tit; J. R. Morris; K. M. Ho

doi:10.1016/0009-2614(96)00406-x

Structural optimization of Lennard-Jones clusters by a genetic algorithm

D. M. Deaven
, N. Tit
, J. R. Morris
, K. M. Ho

Department of Physics

Research output: Contribution to journal › Article › peer-review

301 Citations (Scopus)

Abstract

We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.

Original language	English
Pages (from-to)	195-200
Number of pages	6
Journal	Chemical Physics Letters
Volume	256
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(96)00406-x
Publication status	Published - Jun 1996

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(96)00406-x

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title = "Structural optimization of Lennard-Jones clusters by a genetic algorithm",

abstract = "We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.",

author = "Deaven, \{D. M.\} and N. Tit and Morris, \{J. R.\} and Ho, \{K. M.\}",

note = "Funding Information: Part of this work was made possible by the Scalable Computing Laboratory, which is funded by the Iowa State University and Ames Laboratory. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract No. W-7405-Eng-82. This work was supported by the Director for Energy Research, Office of Basic Energy Sciences, and the High Performance Computing and Communications initiative.",

year = "1996",

month = jun,

doi = "10.1016/0009-2614(96)00406-x",

language = "English",

volume = "256",

pages = "195--200",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

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T1 - Structural optimization of Lennard-Jones clusters by a genetic algorithm

AU - Deaven, D. M.

AU - Tit, N.

AU - Morris, J. R.

AU - Ho, K. M.

N1 - Funding Information: Part of this work was made possible by the Scalable Computing Laboratory, which is funded by the Iowa State University and Ames Laboratory. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract No. W-7405-Eng-82. This work was supported by the Director for Energy Research, Office of Basic Energy Sciences, and the High Performance Computing and Communications initiative.

PY - 1996/6

Y1 - 1996/6

N2 - We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.

AB - We use a newly-developed genetic algorithm to determine the lowest energy atomic configurations of 2-100 atoms in the Lennard-Jones potential. Our method, which contains no bias to specific symmetries, yields structures which are identical to or are lower in energy than all previously published structures.

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UR - https://www.scopus.com/pages/publications/0030170864#tab=citedBy

U2 - 10.1016/0009-2614(96)00406-x

DO - 10.1016/0009-2614(96)00406-x

M3 - Article

AN - SCOPUS:0030170864

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VL - 256

SP - 195

EP - 200

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Structural optimization of Lennard-Jones clusters by a genetic algorithm

Abstract

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