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Volumn 29, Issue 3, 2003, Pages 223-229

On molecular dynamics algorithms

Author keywords

Algorithms; Beeman; Cowell; Error; Gear; Molecular dynamics; Numerov; Symplectic; Verlet

Indexed keywords

COMPUTER SIMULATION; ERROR ANALYSIS; ITERATIVE METHODS; MOLECULAR DYNAMICS; NUMERICAL ANALYSIS;

EID: 23144439735     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/0892702031000089687     Document Type: Article
Times cited : (4)

References (12)
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  • 4
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    • Symplectic properties of algorithms and simulation methods
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    • Isbister, D.J.1    Searles, D.J.2    Evans, D.J.3
  • 5
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    • Large timesteps in molecular dynamics simulations
    • MacGowan, D. and Heyes, D.M. (1988) "Large timesteps in molecular dynamics simulations", Mol. Simul. 1, 277.
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    • MacGowan, D.1    Heyes, D.M.2
  • 6
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    • Some multistep methods for use in molecular dynamics calculations
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  • 7
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    • On the accuracy of some common molecular dynamics algorithms
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    • A family of symplectic integrators: Stability, accuracy, and molecular dynamics applications
    • Skeel, R.D., Zhang, G. and Schlick, T. (1997) "A family of symplectic integrators: stability, accuracy, and molecular dynamics applications", SIAM J. Sci. Comput. 18, 203.
    • (1997) SIAM J. Sci. Comput. , vol.18 , pp. 203
    • Skeel, R.D.1    Zhang, G.2    Schlick, T.3
  • 10
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    • Canonical numerical methods for molecular dynamics simulations
    • Okunbor, D.I. and Skeel, R.D. (1992) "Canonical numerical methods for molecular dynamics simulations", J. Comput. Chem. 15, 72.
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  • 11
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    • Symplectic integrators for large-scale molecular dynamics simulations: A comparison of several explicit methods
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    • The microcanonical weight function: Application to molecular dynamics simulations
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.