T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13(3):195-204, 1994. Home/Search Document Not in Database Summary Related Articles Check |
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Framework Design, Parallelization and Force Computation in.. - Matthey (Correct)
....for the slow and fast dynamics. Slow components are taken into account only every N time steps, where they act as a kind of impulse, acting on the particle. A detailed evaluation and description of integrators and MTS methods are beyond the scope of this thesis; the reader is referred to [7, 39, 60, 57, 79, 129]. In particular, researchers at the University of Notre Dame have implemented slow (half a kick) for k = 0; N 1 do k N = x N tv (a drift) fast = rU fast (x ) evaluate fast forces) N = v N end do slow = rU slow (x ) ....
....step. The approaches can be classified into advanced integration schemes (i.e. MTS, p. 9) and fast force evaluation algorithms handling the expensive non bonded forces (Section 3) Typically, these techniques are combined [129] For the parallelization, there are five basic strategies [39, 109]: Cloning simply assigns each independent simulation to one single processor. This approach is very efficient (no communication) and easy to implement, but its application area is rather limited (e.g. ensemble weather forecast) A master slave approach allocates work among slaves. It has ....
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T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13(3):195--204, 1994.
Long-Time-Step Methods For Oscillatory Differential.. - Garcia-Archilla.. (1998) (1 citation) (Correct)
.... enthusiasm for the method because of the possibility of resonance if the period h of the impulse should happen to coincide with a natural frequency of the reduced system M(d 2 dt 2 )q = W q (q) The resonance is demonstrated experimentally in [1] Also, molecular dynamics experiments in [4] seem to indicate that the step size has to be less than the resonance value, which is 9 10 fs for fully flexible classical mechanics models of molecules. Other experiments [6, 8] show the inferiority of the impulse method (Verlet I) in a Langevin dynamics setting, in which a random noise term ....
T. Forester and W. Smith, On multiple time-step algorithms and the Ewald sum, Mol. Sim., 13 (1994), pp. 195--204. LONG TIME STEPS FOR OSCILLATORY EQUATIONS 963
A Tutorial on the Prototyping of Multiple Time.. - Izaguirre.. (2001) (Correct)
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T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13(3):195-204, 1994.
Targeted Mollified Impulse - A Multiscale Stochastic.. - Ma, Izaguirre (2003) (Correct)
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T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13(3):195--204, 1994.
The Five Femtosecond Time Step Barrier - Skeel, Izaguirre (1998) (Correct)
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T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13:195--204, 1994.
Novel Multiscale Algorithms for Molecular Dynamics - Ma (2003) (Correct)
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T. Forester and W. Smith. On multiple time-step algorithms and the Ewald sum. Mol. Sim., 13(3):195--204, 1994.
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