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, Ai Suzuki, H. Tsuboi, M. Koyama, Nozomu Hatakeyama, H. Takaba, Momoji Kubo, C. A. Del Carpio, H. Kajiyama, T. Shinoda, Akira Miyamoto

Research output: Contribution to conferencePaperpeer-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 languageEnglish
Pages177-180
Number of pages4
Publication statusPublished - 2007 Dec 1
Event14th International Display Workshops, IDW '07 - Sapporo, Japan
Duration: 2007 Dec 52007 Dec 5

Other

Other14th International Display Workshops, IDW '07
CountryJapan
CitySapporo
Period07/12/507/12/5

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials'. Together they form a unique fingerprint.

Cite this