Genetic algorithm approach to aromatic molecules for nanoscale device

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

doi:10.1016/j.msec.2003.09.129

Genetic algorithm approach to aromatic molecules for nanoscale device

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

Collaborative Research Center on Energy Materials

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

1 Citation (Scopus)

Abstract

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 language	English
Pages (from-to)	807-809
Number of pages	3
Journal	Materials Science and Engineering C
Volume	23
Issue number	6-8
DOIs	https://doi.org/10.1016/j.msec.2003.09.129
Publication status	Published - 2003 Dec 15

Keywords

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

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10.1016/j.msec.2003.09.129

Cite this

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title = "Genetic algorithm approach to aromatic molecules for nanoscale device",

abstract = "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.",

keywords = "Genetic Algorithm (GA), Molecular devices, Molecular electronics, Nanoelectronics, Nanostructure, Nanotechnology, Simulation",

author = "Hiroshi Mizuseki and Nobuaki Igarashi and Belosludov, {Rodion V.} and Farajian, {Amir A.} and Yoshiyuki Kawazoe",

note = "Funding Information: The authors would like to express their sincere thanks to the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University, for their continuous support in providing the HITAC SR8000-G1/64 supercomputing facilities. This study was performed through Special Coordination Funds for Promoting Science and Technology from the Ministry of Education, Culture, Sports, Science and Technology of the Japanese Government and a Grant for Basic Science Research Projects from the Sumitomo Foundation.",

year = "2003",

month = dec,

day = "15",

doi = "10.1016/j.msec.2003.09.129",

language = "English",

volume = "23",

pages = "807--809",

journal = "Materials Science and Engineering C",

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T1 - Genetic algorithm approach to aromatic molecules for nanoscale device

AU - Mizuseki, Hiroshi

AU - Igarashi, Nobuaki

AU - Belosludov, Rodion V.

AU - Farajian, Amir A.

AU - Kawazoe, Yoshiyuki

N1 - Funding Information: The authors would like to express their sincere thanks to the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University, for their continuous support in providing the HITAC SR8000-G1/64 supercomputing facilities. This study was performed through Special Coordination Funds for Promoting Science and Technology from the Ministry of Education, Culture, Sports, Science and Technology of the Japanese Government and a Grant for Basic Science Research Projects from the Sumitomo Foundation.

PY - 2003/12/15

Y1 - 2003/12/15

N2 - 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.

AB - 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.

KW - Genetic Algorithm (GA)

KW - Molecular devices

KW - Molecular electronics

KW - Nanoelectronics

KW - Nanostructure

KW - Nanotechnology

KW - Simulation

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EP - 809

JO - Materials Science and Engineering C

JF - Materials Science and Engineering C

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ER -

Genetic algorithm approach to aromatic molecules for nanoscale device

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Keywords

ASJC Scopus subject areas

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