Geometry optimizations of benzene clusters using a modified genetic algorithm

被引：0
|
作者：
Cai, WS [1 ]
Yu, F
Shao, XG
Pan, ZX
机构：
[1] Univ Sci & Technol China, Dept Appl Chem, Hefei 230026, Anhui, Peoples R China
[2] Univ Sci & Technol China, Dept Chem, Hefei 230026, Anhui, Peoples R China
来源：
CHINESE JOURNAL OF CHEMISTRY | 2000年 / 18卷 / 04期
关键词：
geometry optimization; genetic algorithms; benzene clusters;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A modified genetic algorithm with real-number coding, nonuniform mutation and arithmetical crossover operators was described In this paper. A local minimization was used to improve the final solution obtained by the genetic algorithm. Using the exp-6-1 interatomic energy function, the modified genetic algorithm with local minimization (MGALM) was applied to the geometry optimization problem of small benzene clusters (C6H6) (N) (N = 2-7) to obtain the global minimum energy structures. MGALM is simple but the structures optimized are comparable to the published results obtained by parallel genetic algorithms.
引用
收藏
页码：475 / 481
页数：7
相关论文
共 50 条
  • [21] Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method
    Niesse, JA
    Mayne, HR
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1997, 18 (09) : 1233 - 1244
  • [22] Investigation of the structures of MgO clusters using a genetic algorithm
    Roberts, C
    Johnston, RL
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2001, 3 (22) : 5024 - 5034
  • [23] Prediction of stability of the clusters in Manet using Genetic Algorithm
    Preetha, V.
    Chitra, K.
    2016 IEEE INTERNATIONAL CONFERENCE ON ADVANCES IN COMPUTER APPLICATIONS (ICACA), 2016, : 338 - 341
  • [24] Cluster Analysis for overlapping Clusters using Genetic Algorithm
    Das, Sunanda
    Chaudhuri, Shreya
    Das, Asit K.
    2016 SECOND IEEE INTERNATIONAL CONFERENCE ON RESEARCH IN COMPUTATIONAL INTELLIGENCE AND COMMUNICATION NETWORKS (ICRCICN), 2016, : 6 - 11
  • [25] Genetic representations for network design optimizations by evolutionary algorithm
    Lin, Lin
    Gen, Mitsuo
    PROCEEDING OF THE SEVENTH INTERNATIONAL CONFERENCE ON INFORMATION AND MANAGEMENT SCIENCES, 2008, 7 : 512 - 523
  • [26] The geometry optimization of argon atom clusters using differential evolution algorithm
    Zhao, Yongxiang
    Xiong, Shengwu
    Xu, Ning
    COMPUTATIONAL SCIENCE - ICCS 2007, PT 4, PROCEEDINGS, 2007, 4490 : 1155 - +
  • [27] Genetic algorithm-Monte Carlo hybrid geometry optimization method for atomic clusters
    Dugan, Nazim
    Erkoc, Sakir
    COMPUTATIONAL MATERIALS SCIENCE, 2009, 45 (01) : 127 - 132
  • [28] An emigration genetic algorithm for vector optimizations of electromagnetic devices
    Wang, YH
    Yang, SY
    Ni, GZ
    Ni, PH
    Ho, SL
    INTERNATIONAL JOURNAL OF APPLIED ELECTROMAGNETICS AND MECHANICS, 2004, 19 (1-4) : 103 - 109
  • [29] Antenna Switch Optimizations Using Genetic Algorithms Accelerated With the Multilevel Fast Multipole Algorithm
    Onol, Can
    Karaosmanoglu, Bariscan
    Ergul, Ozgur
    2015 IEEE INTERNATIONAL SYMPOSIUM ON ANTENNAS AND PROPAGATION & USNC/URSI NATIONAL RADIO SCIENCE MEETING, 2015, : 1338 - 1339
  • [30] Design of experiments for stacking sequence optimizations with genetic algorithm using response surface approximation
    Todoroki, A
    Ishikawa, T
    COMPOSITE STRUCTURES, 2004, 64 (3-4) : 349 - 357
12345