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Optimal Langevin modelling of out-of-equilibrium molecular dynamics simulations
We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles …
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Optimal Langevin modelling of out-of-equilibrium molecular dynamics simulations
https://ar5iv.org/html/0805.3606
We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles …
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https://ar5iv.org/html/0805.3606
Optimal Langevin modelling of out-of-equilibrium molecular dynamics simulations
We introduce a scheme for deriving an optimally-parametrised Langevin dynamics of few collective variables from data generated in molecular dynamics simulations. The drift and the position-dependent diffusion profiles …
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