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Volumn 22, Issue 7, 2009, Pages 1673-1694

Non-ergodicity of nosé-hoover dynamics

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EID: 67650763419     PISSN: 09517715     EISSN: 13616544     Source Type: Journal    
DOI: 10.1088/0951-7715/22/7/011     Document Type: Article
Times cited : (53)

References (35)
  • 1
    • 59149099805 scopus 로고    scopus 로고
    • A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
    • Akhmatskaya E, Bou-Rabee N and Reich S 2009 A comparison of generalized hybrid Monte Carlo methods with and without momentum flip J. Comput. Phys. 228 2256-65
    • (2009) J. Comput. Phys. , vol.228 , Issue.6 , pp. 2256-2265
    • Akhmatskaya, E.1    Bou-Rabee, N.2    Reich, S.3
  • 2
    • 41249100828 scopus 로고    scopus 로고
    • GSHMC: An efficient method for molecular simulations
    • Akhmatskaya E and Reich S 2008 GSHMC: an efficient method for molecular simulations J. Comput. Phys. 227 4934-54
    • (2008) J. Comput. Phys. , vol.227 , Issue.10 , pp. 4934-4954
    • Akhmatskaya, E.1    Reich, S.2
  • 7
    • 0001471515 scopus 로고    scopus 로고
    • The Nosé-Poincaré method for constant temperature molecular dynamics
    • Bond S D, Leimkuhler B J and Laird B B 1999 The Nosé- Poincaré method for constant temperature molecular dynamics J. Comput. Phys. 151 114-34
    • (1999) J. Comput. Phys. , vol.151 , Issue.1 , pp. 114-134
    • Bond, S.D.1    Leimkuhler, B.J.2    Laird, B.B.3
  • 8
    • 35348893389 scopus 로고    scopus 로고
    • Molecular dynamics and the accuracy of numerically computed averages
    • Bond S D and Leimkuhler B J 2007 Molecular dynamics and the accuracy of numerically computed averages Acta Numer. 16 1-65
    • (2007) Acta Numer. , vol.16 , pp. 1-65
    • Bond, S.D.1    Leimkuhler, B.J.2
  • 9
    • 10844287886 scopus 로고    scopus 로고
    • High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations
    • DOI 10.1063/1.1794611
    • Cancès E, Castella F, Chartier Ph, Faou E, Le Bris C, Legoll F and Turinici G 2004 High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations J. Chem. Phys. 121 10346-55 (Pubitemid 40001576)
    • (2004) Journal of Chemical Physics , vol.121 , Issue.21 , pp. 10346-10355
    • Cances, E.1    Castella, F.2    Chartier, P.3    Faou, E.4    Le Bris, C.5    Legoll, F.6    Turinici, G.7
  • 11
    • 34547539797 scopus 로고    scopus 로고
    • Theoretical and numerical comparison of some sampling methods for molecular dynamics
    • Cancès E, Legoll F and Stoltz G 2007 Theoretical and numerical comparison of some sampling methods for molecular dynamics Math. Mod. Num. Anal. (M2AN) 41 351-89
    • (2007) Math. Mod. Num. Anal. (M2AN) , vol.41 , Issue.2 , pp. 351-389
    • Cancès, E.1    Legoll, F.2    Stoltz, G.3
  • 12
    • 0033588749 scopus 로고    scopus 로고
    • Isochronicity for several classes of Hamiltonian systems
    • Cima A, Manosas F and Villadelprat J 1999 Isochronicity for several classes of Hamiltonian systems J. Diff. Eqns 157 373-413
    • (1999) J. Diff. Eqns , vol.157 , Issue.2 , pp. 373-413
    • Cima, A.1    Manosas, F.2    Villadelprat, J.3
  • 14
    • 84980167278 scopus 로고
    • On global action-angle coordinates
    • Duistermaat J J 1980 On global action-angle coordinates Commun. Pure Appl. Math. 33 687-706
    • (1980) Commun. Pure Appl. Math. , vol.33 , Issue.6 , pp. 687-706
    • Duistermaat, J.J.1
  • 15
    • 67650716388 scopus 로고    scopus 로고
    • Conservative stochastic differential equations: Mathematical and numerical analysis
    • Faou E and Lelièvre T 2009 Conservative stochastic differential equations: mathematical and numerical analysis Math. Comput. at press
    • (2009) Math. Comput.
    • Faou, E.1    Lelièvre, T.2
  • 18
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover W G 1985 Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 1695-7
    • (1985) Phys. Rev. , vol.31 , Issue.3 , pp. 1695-1697
    • Hoover, W.G.1
  • 19
    • 33947418896 scopus 로고    scopus 로고
    • Nosé-Hoover nonequilibrium dynamics and statistical mechanics
    • Hoover W G 2007 Nosé-Hoover nonequilibrium dynamics and statistical mechanics Mol. Simul. 33 13-19
    • (2007) Mol. Simul. , vol.33 , Issue.1 , pp. 13-19
    • Hoover, W.G.1
  • 21
    • 34247162359 scopus 로고    scopus 로고
    • Non-ergodicity of the Nosé-Hoover thermostatted harmonic oscillator
    • Legoll F, Luskin M and Moeckel R 2007 Non-ergodicity of the Nosé-Hoover thermostatted harmonic oscillator Arch. Ration. Mech. Anal. 184 449-63
    • (2007) Arch. Ration. Mech. Anal. , vol.184 , Issue.3 , pp. 449-463
    • Legoll, F.1    Luskin, M.2    Moeckel, R.3
  • 22
    • 67349094280 scopus 로고    scopus 로고
    • A gentle stochastic thermostat for molecular dynamics
    • Leimkuhler B J, Noorizadeh E and Theil F 2009 A gentle stochastic thermostat for molecular dynamics J. Stat. Phys. 135 261-77
    • (2009) J. Stat. Phys. , vol.135 , Issue.2 , pp. 261-277
    • Leimkuhler, B.J.1    Noorizadeh, E.2    Theil, F.3
  • 23
    • 33644929277 scopus 로고    scopus 로고
    • A hamiltonian formulation for recursive multiple thermostats in a common timescale
    • DOI 10.1137/040606090
    • Leimkuhler B J and Sweet C R 2005 A Hamiltonian formulation for recursive multiple thermostats in a common timescale SIAM J. Appl. Dyn. Syst. 4 187-216 (Pubitemid 43385191)
    • (2005) SIAM Journal on Applied Dynamical Systems , vol.4 , Issue.1 , pp. 187-216
    • Leimkuhler, B.J.1    Sweet, C.R.2
  • 25
    • 19844366465 scopus 로고    scopus 로고
    • Computational chemistry from the perspective of numerical analysis
    • DOI 10.1017/S096249290400025X
    • Le Bris C 2005 Computational chemistry from the perspective of numerical analysis Acta Numer. 14 363-444 (Pubitemid 40763886)
    • (2005) Acta Numerica , vol.14 , pp. 363-444
    • Le Bris, C.1
  • 26
    • 36449000062 scopus 로고
    • Nosé-Hoover chains: The canonical ensemble via continuous dynamics
    • Martyna G, Klein M and Tuckerman M 1992 Nosé-Hoover chains: the canonical ensemble via continuous dynamics J. Chem. Phys. 97 2635-43
    • (1992) J. Chem. Phys. , vol.97 , Issue.4 , pp. 2635-2643
    • Martyna, G.1    Klein, M.2    Tuckerman, M.3
  • 27
    • 0000026966 scopus 로고    scopus 로고
    • Explicit reversible integrators for extended systems dynamics
    • Martyna G, Tuckerman M, Tobias D and Klein M 1996 Explicit reversible integrators for extended systems dynamics Mol. Phys. 87 1117-57 (Pubitemid 126453963)
    • (1996) Molecular Physics , vol.87 , Issue.5 , pp. 1117-1157
    • Martyna, G.J.1    Tuckerman, M.E.2    Tobias, D.J.3    Klein, M.L.4
  • 29
    • 34547809547 scopus 로고
    • A unified formulation of the constant temperature molecular dynamics method
    • Nosé S 1984 A unified formulation of the constant temperature molecular dynamics method J. Chem. Phys. 81 511-19
    • (1984) J. Chem. Phys. , vol.81 , Issue.1 , pp. 511-519
    • Nosé, S.1
  • 30
    • 1842799739 scopus 로고
    • Canonical dynamics of the Nosé oscillator: Stability, order and chaos
    • Posch H A, Hoover W G and Vesely F J 1986 Canonical dynamics of the Nosé oscillator: stability, order and chaos Phys. Rev. A 33 4253-65
    • (1986) Phys. Rev. , vol.33 , Issue.6 , pp. 4253-4265
    • Posch, H.A.1    Hoover, W.G.2    Vesely, F.J.3
  • 31
    • 0001444647 scopus 로고    scopus 로고
    • Backward error analysis for numerical integrators
    • PII S0036142997329797
    • Reich S 1999 Backward error analysis for numerical integrators SIAM J. Numer. Anal. 36 1549-70 (Pubitemid 129568023)
    • (1999) SIAM Journal on Numerical Analysis , vol.36 , Issue.5 , pp. 1549-1570
    • Reich, S.1
  • 33
    • 67650720396 scopus 로고    scopus 로고
    • Schuette C 1999 Conformational dynamics: modelling, theory, algorithm, and application to biomolecules PhD Thesis Free University Berlin
    • (1999) PhD Thesis
    • Schuette, C.1
  • 34
    • 0000695782 scopus 로고    scopus 로고
    • Understanding modern molecular dynamics: Techniques and applications
    • Tuckerman M and Martyna G 2000 Understanding modern molecular dynamics: techniques and applications J. Phys. Chem. B 104 159-78
    • (2000) J. Phys. Chem. , vol.104 , Issue.2 , pp. 159-178
    • Tuckerman, M.1    Martyna, G.2
  • 35
    • 19844381193 scopus 로고    scopus 로고
    • Ergodicity and the numerical simulation of hamiltonian systems
    • DOI 10.1137/040603802
    • Tupper P F 2005 Ergodicity and the numerical simulation of Hamiltonian systems SIAM J. Appl. Dyn. Syst. 4 563-87 (Pubitemid 43385166)
    • (2005) SIAM Journal on Applied Dynamical Systems , vol.4 , Issue.3 , pp. 563-587
    • Tupper, P.F.1


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