scholarly journals Correction: Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models

Soft Matter ◽  
2018 ◽  
Vol 14 (48) ◽  
pp. 9973-9974
Author(s):  
Gerhard Jung ◽  
Martin Hanke ◽  
Friederike Schmid
Keyword(s):  
Numerical Integration ◽  
Soft Matter ◽  
Langevin Dynamics ◽  
Generalized Langevin Dynamics

Correction for ‘Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models’ by Gerhard Jung et al., Soft Matter, 2018, DOI: 10.1039/c8sm01817k.

scholarly journals Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models

Soft Matter ◽  
2018 ◽  
Vol 14 (46) ◽  
pp. 9368-9382 ◽  
Author(s):  
Gerhard Jung ◽  
Martin Hanke ◽  
Friederike Schmid
Keyword(s):  
Numerical Integration ◽  
Langevin Dynamics ◽  
Coarse Grained ◽  
System P ◽  
Generalized Langevin Dynamics

The generalized Langevin dynamics (GLD) technique enables the construction and numerical integration of non-Markovian coarse-grained models that perfectly reproduce the dynamics of an underlying atomistic (MD) system.

Comparison of rate theories for generalized Langevin dynamics

1991 ◽  
Vol 95 (8) ◽  
pp. 5809-5826 ◽  
Author(s):  
Susan C. Tucker ◽  
Mark E. Tuckerman ◽  
Bruce J. Berne ◽  
Eli Pollak
Keyword(s):  
Langevin Dynamics ◽  
Generalized Langevin Dynamics

scholarly journals Uncertainty quantification for generalized Langevin dynamics

2016 ◽  
Vol 145 (22) ◽  
pp. 224108 ◽  
Author(s):  
Eric J. Hall ◽  
Markos A. Katsoulakis ◽  
Luc Rey-Bellet
Keyword(s):  
Uncertainty Quantification ◽  
Langevin Dynamics ◽  
Generalized Langevin Dynamics

scholarly journals Modeling of a Nanoparticle Motion in a Newtonian Fluid: A Comparison Between Fluctuating Hydrodynamics and Generalized Langevin Procedures

2012 ◽  
Author(s):  
B. Uma ◽  
P. S. Ayyaswamy ◽  
R. Radhakrishnan ◽  
D. M. Eckmann
Keyword(s):  
Cylindrical Tube ◽  
Langevin Dynamics ◽  
Solid Sphere ◽  
Thermal Fluctuations ◽  
Velocity Autocorrelation Function ◽  
Fluctuating Hydrodynamics ◽  
Arbitrary Lagrangian Eulerian ◽  
Particle Decay ◽  
Numerical Predictions ◽  
Generalized Langevin Dynamics

A direct numerical simulation adopting an arbitrary Lagrangian-Eulerian based finite element method is employed to simulate the motion of a nanocarrier in a quiescent fluid contained in a cylindrical tube. The nanocarrier is treated as a solid sphere. Thermal fluctuations are implemented using two different approaches: (1) fluctuating hydrodynamics; (2) generalized Langevin dynamics (Mittag-Leffler noise). At thermal equilibrium, the numerical predictions for temperature of the nanoparticle, velocity distribution of the particle, decay of the velocity autocorrelation function, diffusivity of the particle and particle-wall interactions are evaluated and compared with analytical results, where available. For a neutrally buoyant nanoparticle of 200 nm radius, the comparisons between the results obtained from the fluctuating hydrodynamics and the generalized Langevin dynamics approaches are provided. Results for particle diffusivity predicted by the fluctuating hydrodynamics approach compare very well with analytical predictions. Ease of computation of the thermostat is obtained with the Langevin approach although the dynamics gets altered.

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