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Most single-molecule studies derive the kinetic rates of native, intermediate, and unfolded states from equilibrium hopping experiments. Here, we apply Kramers kinetic diffusive model to derive the force-dependent kinetic rates of…

Soft Condensed Matter · Physics 2022-04-13 Marc Rico-Pasto , Anna Alemany , Felix Ritort

We study Langevin dynamics with a kinetic energy different from the standard, quadratic one in order to accelerate the sampling of Boltzmann-Gibbs distributions. In particular, this kinetic energy can be non-globally Lipschitz, which raises…

Statistical Mechanics · Physics 2018-05-15 Gabriel Stoltz , Zofia Trstanova

The discretization of overdamped Langevin dynamics, through schemes such as the Euler-Maruyama method, can be corrected by some acceptance/rejection rule, based on a Metropolis-Hastings criterion for instance. In this case, the invariant…

Numerical Analysis · Mathematics 2016-07-06 Max Fathi , Gabriel Stoltz

Hypocoercivity methods are applied to linear kinetic equations without any space confinement, when local equilibria have a sub-exponential decay. By Nash type estimates, global rates of decay are obtained, which reflect the behavior of the…

Analysis of PDEs · Mathematics 2024-01-12 Emeric Bouin , Jean Dolbeault , Laurent Lafleche , Christian Schmeiser

We provide a framework to analyze the convergence of discretized kinetic Langevin dynamics for $M$-$\nabla$Lipschitz, $m$-convex potentials. Our approach gives convergence rates of $\mathcal{O}(m/M)$, with explicit stepsize restrictions,…

Numerical Analysis · Mathematics 2024-05-24 Benedict Leimkuhler , Daniel Paulin , Peter A. Whalley

We provide a refined explicit estimate of exponential decay rate of underdamped Langevin dynamics in $L^2$ distance, based on a framework developed in [1]. To achieve this, we first prove a Poincar\'{e}-type inequality with Gibbs measure in…

Analysis of PDEs · Mathematics 2023-08-25 Yu Cao , Jianfeng Lu , Lihan Wang

Anticipating bifurcation-induced transitions in dynamical systems has gained relevance in various fields of the natural, social, and economic sciences. Before the annihilation of a system's equilibrium point by means of a bifurcation, the…

Dynamical Systems · Mathematics 2024-09-06 Andreas Morr , Keno Riechers , Leonardo Rydin Gorjão , Niklas Boers

We present a derivation of a coarse-grained model from the Langevin dynamics. The focus is placed on the memory kernel function and the fluctuation-dissipation theorem. Also presented is an hierarchy of approximations for the memory and…

Numerical Analysis · Mathematics 2019-10-04 Lina Ma , Xiantao Li , Chun Liu

We develop a microscopic approach to the kinetic theory of many-particle systems with dissipative and potential interactions in presence of active fluctuations. The approach is based on a generalization of Bogolyubov--Peletminsky reduced…

Statistical Mechanics · Physics 2016-12-13 Yu. V. Slyusarenko , O. Yu. Sliusarenko , A. V. Chechkin

Since Kramers' pioneering work in 1940, significant efforts have been devoted to studying Langevin equations applied to physical and chemical reactions projected onto few collective variables, with particular focus on the inference of their…

Statistical Mechanics · Physics 2025-07-16 David Daniel Girardier , Hadrien Vroylandt , Sara Bonella , Fabio Pietrucci

We present recent results on coarse-graining techniques for thermodynamic quantities (canonical averages) and dynamical quantities (averages of path functionals over solutions of overdamped Langevin equations). The question is how to obtain…

Probability · Mathematics 2010-08-24 Frederic Legoll , Tony Lelievre

We study the underdamped Langevin dynamics with invariant measure $\mu(\,\mathrm{d}x\,\mathrm{d}v)\propto \mathrm{e}^{-U(x)-\lvert v\rvert^2/2}\,\mathrm{d}x\,\mathrm{d}v$. Assume that the position marginal $\mu_x(\,\mathrm{d}x)\propto…

Analysis of PDEs · Mathematics 2026-05-12 Jianfeng Lu

Systems composed of large numbers of interacting agents often admit an effective coarse-grained description in terms of a multidimensional stochastic dynamical system, driven by small-amplitude intrinsic noise. In applications to…

Probability · Mathematics 2017-03-30 Todd L. Parsons , Tim Rogers

We refer as "Langevin-Kramers" dynamics to a class of stochastic differential systems exhibiting a degenerate "metriplectic" structure. This means that the drift field can be decomposed into a symplectic and a gradient-like component with…

Statistical Mechanics · Physics 2015-06-18 Paolo Muratore-Ginanneschi

We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…

Statistical Mechanics · Physics 2016-08-31 Umberto Marini Bettolo Marconi , Pedro Tarazona

We investigate the well-posedness of a class of stochastic second-order in time damped evolution equations in Hilbert spaces, subject to the constraint that the solution lie within the unitary sphere. Then, we focus on a specific example,…

Probability · Mathematics 2025-07-01 Sandra Cerrai , Zdzislaw Brzeźniak

We propose an approach to obtaining explicit estimates on the resolvent of hypocoercive operators by using Schur complements, rather than from an exponential decay of the evolution semigroup combined with a time integral. We present…

Analysis of PDEs · Mathematics 2021-09-13 E. Bernard , M. Fathi , A. Levitt , G. Stoltz

We show that the general two-variable Langevin equations with inhomogeneous noise and friction can generate many different forms of power-law distributions. By solving the corresponding stationary Fokker-Planck equation, we can obtain a…

Statistical Mechanics · Physics 2015-08-10 Jiulin Du

The white noise approach to the investigation of the dynamics of a quantum particle interacting with a dilute and in general non-equilibrium gaseous environment in the low density limit is outlined. The low density limit is the kinetic…

Quantum Physics · Physics 2007-05-23 Alexander Pechen

Dynamic facilitation theory assumes short-ranged dynamic constraints to be the essential feature of supercooled liquids and draws much of its conclusions from the study of kinetically constrained models. While deceptively simple, these…

Materials Science · Physics 2012-06-12 Thomas Speck , David Chandler
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