Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances
about
Perspective: Computer simulations of long time dynamicsParametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations.Multiple time step integrators in ab initio molecular dynamics.An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction.Molecular dynamics based enhanced sampling of collective variables with very large time steps.Communication: Multiple-timestep ab initio molecular dynamics with electron correlation.Uncertainty quantification for generalized Langevin dynamics.Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods.Detection of weak signals in memory thermal baths.Evaluating functions of positive-definite matrices using colored-noise thermostats.Decay of unstable states driven by colored noise in an electromagnetic field.Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation.Efficient molecular dynamics using geodesic integration and solvent-solute splitting.
P2860
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P2860
Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances
description
2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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name
Efficient multiple time scale ...... ostats to stabilize resonances
@en
Efficient multiple time scale ...... ostats to stabilize resonances
@nl
type
label
Efficient multiple time scale ...... ostats to stabilize resonances
@en
Efficient multiple time scale ...... ostats to stabilize resonances
@nl
prefLabel
Efficient multiple time scale ...... ostats to stabilize resonances
@en
Efficient multiple time scale ...... ostats to stabilize resonances
@nl
P2860
P356
P1476
Efficient multiple time scale ...... ostats to stabilize resonances
@en
P2093
B. J. Berne
Joseph A. Morrone
P2860
P304
P356
10.1063/1.3518369
P407
P577
2011-01-07T00:00:00Z