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

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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  • Cite this

    Takaba, H., Serizawa, K., Onuma, H., Kikuchi, H., Suzuki, A., Sahnoun, R., Koyama, M., Tsuboi, H., Hatakeyama, N., Endou, A., Del Carpio, C. A., Kubo, M., Kajiyama, H., & Miyamoto, A. (2008). Trans-disciplinary approach to molecular modeling and experiment in PDP materials. Unknown Journal, 8, 1441-1444.