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Volumn 67, Issue 1, 1996, Pages 173-179

Are Gauss-Legendre methods useful in molecular dynamics?

Author keywords

Gauss Legendre methods; Molecular dynamics; Parallel integrators; Symplectic integration

Indexed keywords

DIFFERENTIATION (CALCULUS); INTEGRAL EQUATIONS; INTEGRATION; MATRIX ALGEBRA; MOLECULAR DYNAMICS; NUMERICAL METHODS; VECTORS; VELOCITY;

EID: 0030079177     PISSN: 03770427     EISSN: None     Source Type: Journal    
DOI: 10.1016/0377-0427(95)00151-4     Document Type: Article
Times cited : (9)

References (12)
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    • The development of variable step symplectic integrators, with application to the two-body problem
    • M.P. Calvo and J.M. Sanz-Serna, The development of variable step symplectic integrators, with application to the two-body problem, SIAM J. Sci. Comput. 14 (1993) 936-952.
    • (1993) SIAM J. Sci. Comput. , vol.14 , pp. 936-952
    • Calvo, M.P.1    Sanz-Serna, J.M.2
  • 5
    • 0025235567 scopus 로고
    • Parallel iteration of high-order Runge-Kutta methods with stepsize control
    • P.J. van der Houwen and B.P. Sommeijer, Parallel iteration of high-order Runge-Kutta methods with stepsize control, J. Comput. Appl. Math. 29 (1990) 111-127.
    • (1990) J. Comput. Appl. Math. , vol.29 , pp. 111-127
    • Van Der Houwen, P.J.1    Sommeijer, B.P.2
  • 6
    • 0010353041 scopus 로고
    • Implicit Runge-Kutta method for molecular dynamics integration
    • D. Janežič and B. Orel, Implicit Runge-Kutta method for molecular dynamics integration, J. Chem. Inform. Comput. Sci. 33 (1993) 252-257.
    • (1993) J. Chem. Inform. Comput. Sci. , vol.33 , pp. 252-257
    • Janežič, D.1    Orel, B.2
  • 7
    • 84968505707 scopus 로고
    • Explicit canonical methods for Hamiltonian systems
    • D.I. Okunbor and R.D. Skeel, Explicit canonical methods for Hamiltonian systems, Math. Comput. 59 (1992) 439-455.
    • (1992) Math. Comput. , vol.59 , pp. 439-455
    • Okunbor, D.I.1    Skeel, R.D.2
  • 8
    • 0003085194 scopus 로고
    • Canonical numerical methods for molecular dynamics simulations
    • D.I. Okunbor and R.D. Skeel, Canonical numerical methods for molecular dynamics simulations, J. Comput. Chem. 15 (1994) 72-79.
    • (1994) J. Comput. Chem. , vol.15 , pp. 72-79
    • Okunbor, D.I.1    Skeel, R.D.2
  • 9
    • 0038976122 scopus 로고
    • Runge-Kutta schemes for Hamiltonian systems
    • J.M. Sanz-Serna, Runge-Kutta schemes for Hamiltonian systems, BIT 28 (1988) 877-883.
    • (1988) BIT , vol.28 , pp. 877-883
    • Sanz-Serna, J.M.1
  • 12
    • 0027660883 scopus 로고
    • Explicit, high-order Runge-Kutta-Nyström methods for parallel computers
    • B.P. Sommeijer, Explicit, high-order Runge-Kutta-Nyström methods for parallel computers, Appl. Numer. Math. 13 (1993) 221-240.
    • (1993) Appl. Numer. Math. , vol.13 , pp. 221-240
    • Sommeijer, B.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.