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

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 journal › Conference article › peer-review

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 language	English
Pages (from-to)	1441-1444
Number of pages	4
Journal	Proceedings of International Meeting on Information Display
Volume	8
Publication status	Published - 2008
Event	8th International Meeting on Information Display - International Display Manufacturing Conference 2008 and Asia Display 2008, IMID/IDMC/ASIA DISPLAY 2008 - Ilsan, Korea, Republic of Duration: 2008 Oct 13 → 2008 Oct 17

Keywords

MgO protective layer
Multi-level simulation
Phosphorous materials
Structural simulator
Ultra-accelerated quantum chemical molecular dynamics

Cite this

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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.",

keywords = "MgO protective layer, Multi-level simulation, Phosphorous materials, Structural simulator, Ultra-accelerated quantum chemical molecular dynamics",

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 = "Proceedings of International Meeting on Information Display",

issn = "1738-7558",

note = "8th International Meeting on Information Display - International Display Manufacturing Conference 2008 and Asia Display 2008, IMID/IDMC/ASIA DISPLAY 2008 ; Conference date: 13-10-2008 Through 17-10-2008",

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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.

KW - MgO protective layer

KW - Multi-level simulation

KW - Phosphorous materials

KW - Structural simulator

KW - Ultra-accelerated quantum chemical molecular dynamics

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 - Conference article

AN - SCOPUS:65649134830

SN - 1738-7558

VL - 8

SP - 1441

EP - 1444

JO - Proceedings of International Meeting on Information Display

JF - Proceedings of International Meeting on Information Display

T2 - 8th International Meeting on Information Display - International Display Manufacturing Conference 2008 and Asia Display 2008, IMID/IDMC/ASIA DISPLAY 2008

Y2 - 13 October 2008 through 17 October 2008

ER -

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

Abstract

Keywords

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