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Volumn 362, Issue 1821, 2004, Pages 1583-1594

Deterministic and stochastic algorithms for mechanical systems under constraints

Author keywords

Algorithms; Holonomic constraints; Non Hamiltonian and Brownian dynamics

Indexed keywords


EID: 3843129507     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2004.1400     Document Type: Conference Paper
Times cited : (13)

References (15)
  • 1
    • 3843093702 scopus 로고    scopus 로고
    • Molecular dynamics of complex systems: Non-Hamiltonian, constrained, quantum-classical
    • (ed. M. Karttunen, I. Vattulainen & A. Lukkarinen). Springer. (In the press.)
    • Ciccotti, G. & Kalibaeva, G. 2004 Molecular dynamics of complex systems: non-Hamiltonian, constrained, quantum-classical. In Novel methods in soft matter simulation (ed. M. Karttunen, I. Vattulainen & A. Lukkarinen). Springer. (In the press.)
    • (2004) Novel Methods in Soft Matter Simulation
    • Ciccotti, G.1    Kalibaeva, G.2
  • 2
    • 46149128394 scopus 로고
    • Molecular dynamics simulation of rigid molecules
    • Ciccotti, G. & Ryckaert, J. P. 1986 Molecular dynamics simulation of rigid molecules. Comput. Phys. Rep. 4, 345-392.
    • (1986) Comput. Phys. Rep. , vol.4 , pp. 345-392
    • Ciccotti, G.1    Ryckaert, J.P.2
  • 5
    • 0000026966 scopus 로고    scopus 로고
    • Explicit reversible integrators for extended systems dynamics
    • Martyna, G. J., Tuckerman, M. E., Tobias, D. J. & Klein, M. L. 1996 Explicit reversible integrators for extended systems dynamics. Molec. Phys. 87, 1117-1157.
    • (1996) Molec. Phys. , vol.87 , pp. 1117-1157
    • Martyna, G.J.1    Tuckerman, M.E.2    Tobias, D.J.3    Klein, M.L.4
  • 6
    • 0034207160 scopus 로고    scopus 로고
    • Constrained systems and statistical distribution
    • Melchionna, S. 2000 Constrained systems and statistical distribution. Phys. Rev. E 61, 6165-6170.
    • (2000) Phys. Rev. E , vol.61 , pp. 6165-6170
    • Melchionna, S.1
  • 7
    • 0942302854 scopus 로고    scopus 로고
    • Algorithms for Brownian dynamics
    • Ricci, A. & Ciccotti, G. 2003 Algorithms for Brownian dynamics. Molec. Phys. 101, 1927-1931.
    • (2003) Molec. Phys. , vol.101 , pp. 1927-1931
    • Ricci, A.1    Ciccotti, G.2
  • 8
    • 36749119811 scopus 로고
    • Introduction of Andersen's demon in the molecular dynamics of systems with constraints
    • Ryckaert, J. P. & Ciccotti, G. 1983 Introduction of Andersen's demon in the molecular dynamics of systems with constraints. J. Chem. Phys. 78, 7368-7374.
    • (1983) J. Chem. Phys. , vol.78 , pp. 7368-7374
    • Ryckaert, J.P.1    Ciccotti, G.2
  • 9
    • 4243114736 scopus 로고
    • Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions
    • Schneider, T. & Stoll, E. 1978 Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions, Phys. Rev. B17, 1302-1322.
    • (1978) Phys. Rev. B , vol.17 , pp. 1302-1322
    • Schneider, T.1    Stoll, E.2
  • 10
    • 85008106276 scopus 로고
    • General decomposition theory of ordered exponentials
    • Suzuki, M. 1993 General decomposition theory of ordered exponentials. Proc. Japn Acad. B 69, 161-167.
    • (1993) Proc. Japn Acad. B , vol.69 , pp. 161-167
    • Suzuki, M.1
  • 11
    • 84968520470 scopus 로고
    • On the product of semi groups of operators
    • Trotter, H. F. 1959 On the product of semi groups of operators. Proc. Am. Math. Soc. 10, 545-551.
    • (1959) Proc. Am. Math. Soc. , vol.10 , pp. 545-551
    • Trotter, H.F.1
  • 12
    • 33646650705 scopus 로고
    • Reversible multiple time scale molecular dynamics
    • Tuckerman, M. E., Berne, B. J. & Martyna, G. L. 1992 Reversible multiple time scale molecular dynamics. J. Chem. Phys. 97, 1990-2001.
    • (1992) J. Chem. Phys. , vol.97 , pp. 1990-2001
    • Tuckerman, M.E.1    Berne, B.J.2    Martyna, G.L.3
  • 13
    • 0033554903 scopus 로고    scopus 로고
    • On the classical statistical mechanics of non-Hamiltonian systems
    • Tuckerman, M. E., Mundy, G. J. & Martyna, G. J. 1999 On the classical statistical mechanics of non-Hamiltonian systems. Europhys. Lett. 45, 149-155.
    • (1999) Europhys. Lett. , vol.45 , pp. 149-155
    • Tuckerman, M.E.1    Mundy, G.J.2    Martyna, G.J.3
  • 14
    • 0035933983 scopus 로고    scopus 로고
    • Non-hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-hamiltonian systems
    • Tuckerman, M. E., Liu, Y., Ciccotti, G. & Martyna, G. J. 2001 Non-Hamiltonian molecular dynamics: generalizing Hamiltonian phase space principles to non-Hamiltonian systems. J. Chem. Phys. 115, 1678-1702.
    • (2001) J. Chem. Phys. , vol.115 , pp. 1678-1702
    • Tuckerman, M.E.1    Liu, Y.2    Ciccotti, G.3    Martyna, G.J.4
  • 15
    • 36749113806 scopus 로고
    • Brownian dynamics: Its application to ionic solutions
    • Turq, P., Lantelme, F. & Friedman, H. L. 1977 Brownian dynamics: its application to ionic solutions. J. Chem. Phys. 66, 3039-3044.
    • (1977) J. Chem. Phys. , vol.66 , pp. 3039-3044
    • Turq, P.1    Lantelme, F.2    Friedman, H.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.