A. Brunger, C. B. Brooks, and M. Karplus. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem. Phys. Lett., 105:495--500, 1982. Home/Search Document Not in Database Summary Related Articles Check |
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Smoothed Langevin dynamics of highly oscillatory systems - Reich (1999) (1 citation) (Correct)
....the highly oscillatory degree of freedom and by applying the principle of averaging to the corresponding transformed stochastic differential equation. Let us state item (ii) more precisely. The equations (8) 9) can be solved numerically by using the following generalization of the Verlet method [6, 8]: p n 1=2 = pn Gamma Deltat 2 h r q U(qn ) flp n 1=2 Gamma M 1=2 (t n ) i ; 10) q n 1 = q n DeltatM Gamma1 p n 1=2 ; 11) pn 1 = p n 1=2 Gamma Deltat 2 h r q U(qn 1 ) flp n 1=2 Gamma M 1=2 (t n 1 ) i (12) with h i (t n ) j (t n )i = 4flk BT Deltat Gamma1 ....
A. Brunger, C.L. Brooks, and M. Karplus, Stochastic boundary conditions for molecular dynamics simulations of ST2 water, Chem. Phys. Lett. 105(1982), 495--500.
Smoothed Langevin dynamics of highly oscillatory systems - Reich (1998) (1 citation) (Correct)
.... T the temperature of the heat bath, and h:i denotes the average over all realizations of the stochastic process (t) 1] 11] Such a model is frequently used in molecular dynamics [1] The equations (8) 9) can be solved numerically by using the following generalization of the Verlet method [6, 8]: p n 1=2 = pn Gamma Deltat 2 h r q U(qn ) flp n 1=2 Gamma M 1=2 (t n ) i ; 10) q n 1 = q n DeltatM Gamma1 p n 1=2 ; 11) pn 1 = p n 1=2 Gamma Deltat 2 h r q U(qn 1 ) flp n 1=2 Gamma M 1=2 (t n 1 ) i (12) with h i (t n ) j (t n )i = 4flk BT Deltat Gamma1 ....
A. Brunger, C.L. Brooks, and M. Karplus, Stochastic boundary conditions for molecular dynamics simulations of ST2 water, Chem. Phys. Lett. 105(1982), 495--500.
Analysis Of A Few Numerical Integration Methods For The Langevin.. - Wang (2001) Self-citation (Brunger) (Correct)
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A. Brunger, C. L. Brooks, and M. Karplus, Stochastic Boundary Conditions for Molecular Dynamics Simulations of ST2 Water, Chemical Physics Letter 105:495 (1984).
Targeted Mollified Impulse - A Multiscale Stochastic.. - Ma, Izaguirre (2003) (Correct)
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A. Brunger, C. B. Brooks, and M. Karplus. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem. Phys. Lett., 105:495--500, 1982.
Langevin Stabilization of Multiscale Mollified Molecular Dynamics - Izaguirre (Correct)
No context found.
A. Brunger, C. B. Brooks, and M. Karplus. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem. Phys. Lett., 105:495--500, 1982.
Novel Multiscale Algorithms for Molecular Dynamics - Ma (2003) (Correct)
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A. Brunger, C. B. Brooks, and M. Karplus. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem. Phys. Lett., 105:495--500, 1982.
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