Trans-disciplinary approach to molecular modeling and experiment in PDP materials

Hiromitsu Takaba, Kazumi Serizawa, Hiroaki Onuma, Hiromi Kikuchi, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Carlos A. Del Carpio, Momoji Kubo, Hiroshi Kajiyama, Akira Miyamoto

Research output: Contribution to journalArticle

Abstract

We developed ultra-accelerated quantum chemical molecular dynamics and spectroscopic characterization simulators for development of PDP materials. By combination of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as cathode luminescence spectrum and secondary electron emission, is successfully evaluated. The strategy of "Experiment integrated Computational Chemistry" using developed simulators will presented that has the potential in being powerful tool for designing the PDP materials.

Original languageEnglish
Pages (from-to)1441-1444
Number of pages4
JournalUnknown Journal
Volume8
Publication statusPublished - 2008
Externally publishedYes

Fingerprint

Molecular modeling
simulator
Simulators
Computational chemistry
modeling
experiment
Experiments
Electron emission
luminescence
Molecular dynamics
Luminescence
Cathodes
electron
material

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Takaba, H., Serizawa, K., Onuma, H., Kikuchi, H., Suzuki, A., Sahnoun, R., ... Miyamoto, A. (2008). Trans-disciplinary approach to molecular modeling and experiment in PDP materials. Unknown Journal, 8, 1441-1444.

Trans-disciplinary approach to molecular modeling and experiment in PDP materials. / Takaba, Hiromitsu; Serizawa, Kazumi; Onuma, Hiroaki; Kikuchi, Hiromi; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Del Carpio, Carlos A.; Kubo, Momoji; Kajiyama, Hiroshi; Miyamoto, Akira.

In: Unknown Journal, Vol. 8, 2008, p. 1441-1444.

Research output: Contribution to journalArticle

Takaba, H, Serizawa, K, Onuma, H, Kikuchi, H, Suzuki, A, Sahnoun, R, Koyama, M, Tsuboi, H, Hatakeyama, N, Endou, A, Del Carpio, CA, Kubo, M, Kajiyama, H & Miyamoto, A 2008, 'Trans-disciplinary approach to molecular modeling and experiment in PDP materials', Unknown Journal, vol. 8, pp. 1441-1444.
Takaba H, Serizawa K, Onuma H, Kikuchi H, Suzuki A, Sahnoun R et al. Trans-disciplinary approach to molecular modeling and experiment in PDP materials. Unknown Journal. 2008;8:1441-1444.
Takaba, Hiromitsu ; Serizawa, Kazumi ; Onuma, Hiroaki ; Kikuchi, Hiromi ; Suzuki, Ai ; Sahnoun, Riadh ; Koyama, Michihisa ; Tsuboi, Hideyuki ; Hatakeyama, Nozomu ; Endou, Akira ; Del Carpio, Carlos A. ; Kubo, Momoji ; Kajiyama, Hiroshi ; Miyamoto, Akira. / Trans-disciplinary approach to molecular modeling and experiment in PDP materials. In: Unknown Journal. 2008 ; Vol. 8. pp. 1441-1444.
@article{caeef2fb444444399178a1c9dfd97fab,
title = "Trans-disciplinary approach to molecular modeling and experiment in PDP materials",
abstract = "We developed ultra-accelerated quantum chemical molecular dynamics and spectroscopic characterization simulators for development of PDP materials. By combination of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as cathode luminescence spectrum and secondary electron emission, is successfully evaluated. The strategy of {"}Experiment integrated Computational Chemistry{"} using developed simulators will presented that has the potential in being powerful tool for designing the PDP materials.",
author = "Hiromitsu Takaba and Kazumi Serizawa and Hiroaki Onuma and Hiromi Kikuchi and Ai Suzuki and Riadh Sahnoun and Michihisa Koyama and Hideyuki Tsuboi and Nozomu Hatakeyama and Akira Endou and {Del Carpio}, {Carlos A.} and Momoji Kubo and Hiroshi Kajiyama and Akira Miyamoto",
year = "2008",
language = "English",
volume = "8",
pages = "1441--1444",
journal = "Quaternary International",
issn = "1040-6182",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Trans-disciplinary approach to molecular modeling and experiment in PDP materials

AU - Takaba, Hiromitsu

AU - Serizawa, Kazumi

AU - Onuma, Hiroaki

AU - Kikuchi, Hiromi

AU - Suzuki, Ai

AU - Sahnoun, Riadh

AU - Koyama, Michihisa

AU - Tsuboi, Hideyuki

AU - Hatakeyama, Nozomu

AU - Endou, Akira

AU - Del Carpio, Carlos A.

AU - Kubo, Momoji

AU - Kajiyama, Hiroshi

AU - Miyamoto, Akira

PY - 2008

Y1 - 2008

N2 - We developed ultra-accelerated quantum chemical molecular dynamics and spectroscopic characterization simulators for development of PDP materials. By combination of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as cathode luminescence spectrum and secondary electron emission, is successfully evaluated. The strategy of "Experiment integrated Computational Chemistry" using developed simulators will presented that has the potential in being powerful tool for designing the PDP materials.

AB - We developed ultra-accelerated quantum chemical molecular dynamics and spectroscopic characterization simulators for development of PDP materials. By combination of these simulators, realistic structure of PDP materials is drawn on the computer. Furthermore, based on the structures, various properties such as cathode luminescence spectrum and secondary electron emission, is successfully evaluated. The strategy of "Experiment integrated Computational Chemistry" using developed simulators will presented that has the potential in being powerful tool for designing the PDP materials.

UR - http://www.scopus.com/inward/record.url?scp=65649134830&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=65649134830&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:65649134830

VL - 8

SP - 1441

EP - 1444

JO - Quaternary International

JF - Quaternary International

SN - 1040-6182

ER -