MOE: A special-purpose parallel computer for high-speed, large-scale molecular orbital calculation

ACM/IEEE SC 1999 Conference, SC 1999

Volumn , Issue , 1999, Pages 58-

  Hashimoto, Koji ^a   Tomita, Hiroto ^a   Inoue, Koji ^a   Metsugi, Katsuhiko ^a   Murakami, Kazuaki ^a   Inabata, Shinjiro ^b   Yamada, So ^b   Miyakawa, Nobuaki ^b   Takashima, Hajime ^c   Kitamura, Kunihiro ^c   Obara, Shigeru ^d   Amisaki, Takashi ^e   Tanabe, Kazutoshi ^f   Nagashima, Umpei ^g  

^a KYUSHU UNIVERSITY   (Japan)

^b FUJI XEROX CO LTD   (Japan)

^c TAISHO PHARMACEUTICAL CO LTD   (Japan)

^d HOKKAIDO UNIVERSITY OF EDUCATION   (Japan)

^e SHIMANE UNIVERSITY   (Japan)

^f NATL INST OF MAT AND CHEM RES   (Japan)

^g NATL INST FOR ADV INTERDISC RES   (Japan)

Author keywords

Ab initio molecular orbital (MO) calculations; Parallel processing; PPRAM (parallel processing random access memory); PPRAM Link; Special purpose computer

Indexed keywords

CALCULATIONS; COST EFFECTIVENESS; DISTRIBUTED PARAMETER CONTROL SYSTEMS; DRUG PRODUCTS; MEMORY ARCHITECTURE; MOLECULAR ORBITALS; RANDOM ACCESS STORAGE;

AB INITIO MOLECULAR ORBITALS; PARALLEL PROCESSING; PPRAM-LINK; RANDOM ACCESS MEMORY; SPECIAL-PURPOSE COMPUTER;

ORBITAL CALCULATIONS;

EID: 35348915106     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/SC.1999.10000     Document Type: Conference Paper

References (8)

1. Takashima, H., Kitamura, K., Tanabe, K., and Nagashima, U., "Is large-Scale ab initio Hartree-Fock calculation chemically accurate? Toward improved calculation of biological molecule properties", Journal of Computational Chemistry Vol.20, No.4, pp.443-454, 1999.
2. Nagashima, U., Obara, S., Murakami, K., Yoshii, T., Shirakawa, S., Amisaki, T., Kitamura, K., Takashima, H., Kitao, O., and Tanabe, K., "Development of MOE (molecular orbital calculation engine)", Computational Materials Science 14, pp.132-134, 1999.
3. Obara, S. and Saika, A., "Efficient recursive computation of molecular integrals over Cartesian Gaussian functions", Journal of Chemistry Physics, Vol.84, No.7, pp.3963-3974, Apr. 1986.
4. Inabata, S., Yamada S., Osawa, T., Okino, K., Tomita, H., Hashimoto, K., Hayakawa, K., Miyakawa, N., and Murakami, K., "PPRAM-MOE: A Processing Node LSI for the Molecular Orbital Calculation Engine (MOE)", Technical Report of IEICE, ICD98-21, pp.77-84, Apr. 1998.
5. Shirakawa, S., Yoshii, T., Murakami, K., Nagashima, U., Obara, S., Amisaki T., Kitamura, K., Takashima, H., and Tanabe, K., "The Architecture of a Molecular Orbital Engine (MOE)", Technical Report of IEICE, CPSY96-46, pp.45-50, May 1996.
6. Murakami, K., Shirakawa, S., and Miyajima, H., "Parallel Processing RAM Chip with 256Mb DRAM and Quad Processors", 1997 IEEE International Solid-State Circuits Conference, pp.228-229, Feb. 1997.
7. http://ppram.csce.kyushu-u.ac.jp/
8. http://www.ppram.or.jp/