Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm
Publication type: Journal Article
Publication date: 2002-08-10
SJR: —
CiteScore: —
Impact factor: —
ISSN: 00952338, 15205142
PubMed ID:
12376996
General Chemistry
Computer Science Applications
Computational Theory and Mathematics
Information Systems
Abstract
A parallel fast annealing evolutionary algorithm (PFAEA) was presented and applied to optimize Lennard-Jones (LJ) clusters. All the lowest known minima up to LJ(116) with both icosahedral and nonicosahedral structure, including the truncated octahedron of LJ(38), central fcc tetrahedron of LJ(98), the Marks' decahedron of LJ(75)(-)(77), and LJ(102)(-)(104), were located successfully by the unbiased algorithm. PFAEA is a parallel version of fast annealing evolutionary algorithm (FAEA) that combines the aspect of population in genetic algorithm and annealing algorithm with a very fast annealing schedule. A master-slave paradigm is used to parallelize FAEA to improve the efficiency. The performance of PFAEA is studied, and the scaling of execution time with the cluster size is approximately cubic, which is important for larger scale energy minimization systems.
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Total citations:
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Citations from 2024:
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GOST
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Cai W., Jiang H., Shao X. Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm // Journal of Chemical Information and Computer Sciences. 2002. Vol. 42. No. 5. pp. 1099-1103.
GOST all authors (up to 50)
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Cai W., Jiang H., Shao X. Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm // Journal of Chemical Information and Computer Sciences. 2002. Vol. 42. No. 5. pp. 1099-1103.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/ci020004i
UR - https://doi.org/10.1021/ci020004i
TI - Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm
T2 - Journal of Chemical Information and Computer Sciences
AU - Cai, Wensheng
AU - Jiang, Haiyan
AU - Shao, Xueguang
PY - 2002
DA - 2002/08/10
PB - American Chemical Society (ACS)
SP - 1099-1103
IS - 5
VL - 42
PMID - 12376996
SN - 0095-2338
SN - 1520-5142
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2002_Cai,
author = {Wensheng Cai and Haiyan Jiang and Xueguang Shao},
title = {Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm},
journal = {Journal of Chemical Information and Computer Sciences},
year = {2002},
volume = {42},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021/ci020004i},
number = {5},
pages = {1099--1103},
doi = {10.1021/ci020004i}
}
Cite this
MLA
Copy
Cai, Wensheng, et al. “Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm.” Journal of Chemical Information and Computer Sciences, vol. 42, no. 5, Aug. 2002, pp. 1099-1103. https://doi.org/10.1021/ci020004i.