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Ab initio generalized Langevin equation. [PDF]

open access: yesProc Natl Acad Sci U S A, 2022
Significance Recent developments of neural network–based atomistic models enable large scale molecular dynamics based on quantum mechanical theory. However, there is still a gap between modeling microscale molecular dynamics and modeling mesoscale coarse-
Xie P, Car R, E W.
europepmc   +6 more sources

Data-driven parameterization of the generalized Langevin equation [PDF]

open access: yesProceedings of the National Academy of Sciences of the United States of America, 2016
Significance The generalized Langevin equation (GLE) provides a precise description of coarse-grained variable dynamics in reduced dimension models. However, computation of the memory kernel poses a major challenge to the practical use of the GLE.
Huan Lei, Nathan A Baker, Xiantao Li
exaly   +4 more sources

Fractional Langevin equation [PDF]

open access: yesPhysical Review E, 2001
We investigate fractional Brownian motion with a microscopic random-matrix model and introduce a fractional Langevin equation. We use the latter to study both sub- and superdiffusion of a free particle coupled to a fractal heat bath.
A. Caspi   +37 more
core   +4 more sources

Fractional Langevin Equation Involving Two Fractional Orders: Existence and Uniqueness Revisited

open access: yesMathematics, 2020
We consider the nonlinear fractional Langevin equation involving two fractional orders with initial conditions. Using some basic properties of Prabhakar integral operator, we find an equivalent Volterra integral equation with two parameter Mittag–Leffler
Hossein Fazli   +2 more
doaj   +2 more sources

Langevin equation in complex media and anomalous diffusion. [PDF]

open access: yesJ R Soc Interface, 2018
The problem of biological motion is a very intriguing and topical issue. Many efforts are being focused on the development of novel modelling approaches for the description of anomalous diffusion in biological systems, such as the very complex and ...
Vitali S   +5 more
europepmc   +3 more sources

On the Existence and Uniqueness of Solution to Fractional-Order Langevin Equation

open access: yesAdvances in Mathematical Physics, 2020
In this work, we give sufficient conditions to investigate the existence and uniqueness of solution to fractional-order Langevin equation involving two distinct fractional orders with unprecedented conditions (three-point boundary conditions including ...
Ahmed Salem, Noorah Mshary
doaj   +2 more sources

On the "generalized Generalized Langevin Equation" [PDF]

open access: yesJournal of Chemical Physics, 2017
In molecular dynamics simulations and single molecule experiments, observables are usually measured along dynamic trajectories and then averaged over an ensemble ("bundle") of trajectories. Under stationary conditions, the time-evolution of such averages
Berendsen H. J. C.   +6 more
core   +2 more sources

On the Fractal Langevin Equation

open access: yesFractal and Fractional, 2019
In this paper, fractal stochastic Langevin equations are suggested, providing a mathematical model for random walks on the middle- τ Cantor set.
Alireza Khalili Golmankhaneh
doaj   +2 more sources

Derivation of the Langevin Equation from the Microcanonical Ensemble [PDF]

open access: yesEntropy
When writing down a Langevin equation for the time evolution of a “system” in contact with a thermal bath, one typically makes the implicit (and often tacit) assumption that the thermal environment is in equilibrium at all times.
Ralf Eichhorn
doaj   +2 more sources

Generalized Langevin Equation and the Prabhakar Derivative

open access: yesMathematics, 2017
We consider a generalized Langevin equation with regularized Prabhakar derivative operator. We analyze the mean square displacement, time-dependent diffusion coefficient and velocity autocorrelation function.
Trifce Sandev
doaj   +2 more sources

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