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Volumn 21, Issue 3, 2000, Pages 201-217

Computationally Efficient Canonical Molecular Dynamics Simulations by Using a Multiple Time-Step Integrator Algorithm Combined with the Particle Mesh Ewald Method and with the Fast Multipole Method

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EID: 0000924681     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1096-987x(200002)21:3<201::aid-jcc4>3.0.co;2-%23     Document Type: Article
Times cited : (15)

References (41)
  • 25
    • 85080553479 scopus 로고    scopus 로고
    • note
    • This technique is the same as the highly optimized algorithm developed by Perram et al. in ref. 5, which was inspired by the linked-cell list devised by Hockney and Eastwood in ref. 6.
  • 40
    • 24844474730 scopus 로고    scopus 로고
    • A slight modification of the PMEM proposed by Procacci et al. could improve the errors; Procacci, P.; Darden, T.; Marchi, M. J Chem Phys 1996, 100, 10464; Procacci, P.; Marchi, M.; Martyna, G. J. J Chem Phys 1998, 108, 8799.
    • (1996) J Chem Phys , vol.100 , pp. 10464
    • Procacci, P.1    Darden, T.2    Marchi, M.3
  • 41
    • 0001545051 scopus 로고    scopus 로고
    • A slight modification of the PMEM proposed by Procacci et al. could improve the errors; Procacci, P.; Darden, T.; Marchi, M. J Chem Phys 1996, 100, 10464; Procacci, P.; Marchi, M.; Martyna, G. J. J Chem Phys 1998, 108, 8799.
    • (1998) J Chem Phys , vol.108 , pp. 8799
    • Procacci, P.1    Marchi, M.2    Martyna, G.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.