Genetic algorithm approach to aromatic molecules for nanoscale device

Hiroshi Mizuseki, Nobuaki Igarashi, Rodion V. Belosludov, Amir A. Farajian, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


Over the next 10 years, the 40-year miniaturization revolution in silicon-based microelectronics will approach its ultimate nanometer-scale limits. Molecular electronics is a potential candidate for future electronic devices. However, it is currently very difficult to predict which molecules would be suitable for fabricating such devices because the number of organic molecules that are available is enormous. In this paper, we propose that a Genetic Algorithm (GA) could be used to survey molecules to determine those which would be appropriate for practical molecular devices. The molecules that were identified in this study have a long rigid shape and a small HOMO-LUMO gap.

Original languageEnglish
Pages (from-to)807-809
Number of pages3
JournalMaterials Science and Engineering C
Issue number6-8
Publication statusPublished - 2003 Dec 15


  • Genetic Algorithm (GA)
  • Molecular devices
  • Molecular electronics
  • Nanoelectronics
  • Nanostructure
  • Nanotechnology
  • Simulation

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


Dive into the research topics of 'Genetic algorithm approach to aromatic molecules for nanoscale device'. Together they form a unique fingerprint.

Cite this