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; M. Koyama; N. Hatakeyama; H. Takaba; M. Kubo; C. A. Del Carpio; H. Kajiyama; T. Shinoda; A. Miyamoto

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, M. Koyama, N. Hatakeyama, H. Takaba, M. Kubo, C. A. Del Carpio, H. Kajiyama, T. Shinoda, A. Miyamoto

Research output: Contribution to conference › Paper › peer-review

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 language	English
Pages	177-180
Number of pages	4
Publication status	Published - 2007
Event	14th International Display Workshops, IDW '07 - Sapporo, Japan Duration: 2007 Dec 5 → 2007 Dec 5

Conference

Conference	14th International Display Workshops, IDW '07
Country/Territory	Japan
City	Sapporo
Period	07/12/5 → 07/12/5

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.

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

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.",

author = "A. Endou and K. Serizawa and K. Ogiya and H. Onuma and T. Onodera and C. Lv and H. Kikuchi and A. Suzuki and H. Tsuboi and M. Koyama and N. Hatakeyama and H. Takaba and M. Kubo and {Del Carpio}, {C. A.} and H. Kajiyama and T. Shinoda and A. Miyamoto",

year = "2007",

language = "English",

pages = "177--180",

note = "14th International Display Workshops, IDW '07 ; Conference date: 05-12-2007 Through 05-12-2007",

}

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, CA, Kajiyama, H, Shinoda, T & Miyamoto, A 2007, 'Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials', Paper presented at 14th International Display Workshops, IDW '07, Sapporo, Japan, 07/12/5 - 07/12/5 pp. 177-180.

TY - CONF

T1 - Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials

AU - Endou, A.

AU - Serizawa, K.

AU - Ogiya, K.

AU - Onuma, H.

AU - Onodera, T.

AU - Lv, C.

AU - Kikuchi, H.

AU - Suzuki, A.

AU - Tsuboi, H.

AU - Koyama, M.

AU - Hatakeyama, N.

AU - Takaba, H.

AU - Kubo, M.

AU - Del Carpio, C. A.

AU - Kajiyama, H.

AU - Shinoda, T.

AU - Miyamoto, A.

PY - 2007

Y1 - 2007

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=43349085678&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=43349085678&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:43349085678

SP - 177

EP - 180

T2 - 14th International Display Workshops, IDW '07

Y2 - 5 December 2007 through 5 December 2007

ER -

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

Abstract

Conference

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