Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials

A. Endou, K. Serizawa, K. Ogiya, H. Onuma, T. Onodera, C. Lv, H. Kikuchi, A. Suzuki, H. Tsuboi, Michihisa Koyama, N. Hatakeyama, H. Takaba, M. Kubo, C. A. Del Carpio, H. Kajiyama, T. Shinoda, A. Miyamoto

Research output: Contribution to conferencePaper

Abstract

We have developed a new tight-binding quantum chemical molecular dynamics code, 'New-Colors', based on tight-binding quantum chemical molecular dynamics code, 'Colors'. We demonstrated that New-Colors code was successfully accelerated by the comparison of computation time. This program is expected to be effective in performing large-scale quantum chemical molecular dynamics simulations.

Original languageEnglish
Pages177-180
Number of pages4
Publication statusPublished - Dec 1 2007
Event14th International Display Workshops, IDW '07 - Sapporo, Japan
Duration: Dec 5 2007Dec 5 2007

Other

Other14th International Display Workshops, IDW '07
CountryJapan
CitySapporo
Period12/5/0712/5/07

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials
  • Radiology Nuclear Medicine and imaging
  • Atomic and Molecular Physics, and Optics

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  • Cite this

    Endou, A., Serizawa, K., Ogiya, K., Onuma, H., Onodera, T., Lv, C., Kikuchi, H., Suzuki, A., Tsuboi, H., Koyama, M., Hatakeyama, N., Takaba, H., Kubo, M., Del Carpio, C. A., Kajiyama, H., Shinoda, T., & Miyamoto, A. (2007). Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials. 177-180. Paper presented at 14th International Display Workshops, IDW '07, Sapporo, Japan.