Partial differential equations and stochastic methods in molecular dynamics

T Lelievre, G Stoltz - Acta Numerica, 2016 - cambridge.org
The objective of molecular dynamics computations is to infer macroscopic properties of
matter from atomistic models via averages with respect to probability measures dictated by …

Stochastic processes and applications

GA Pavliotis - Texts in applied mathematics, 2014 - Springer
The purpose of this book is to present various results and techniques from the theory of
stochastic processes and in particular diffusion processes that are useful in the study of …

Couplings and quantitative contraction rates for Langevin dynamics

A Eberle, A Guillin, R Zimmer - 2019 - projecteuclid.org
We introduce a new probabilistic approach to quantify convergence to equilibrium for
(kinetic) Langevin processes. In contrast to previous analytic approaches that focus on the …

[图书][B] Hypocoercivity

C Villani - 2009 - ams.org
This memoir attempts at a systematic study of convergence to stationary state for certain
classes of degenerate diffusive equations, taking the general form ${\frac {\partial f}{\partial …

Isotropic hypoellipticity and trend to equilibrium for the Fokker-Planck equation with a high-degree potential

F Hérau, F Nier - Archive for Rational Mechanics and Analysis, 2004 - Springer
We consider the Fokker-Planck equation with a confining or anti-confining potential which
behaves at infinity like a possibly high-degree homogeneous function. Hypoellipticity …

[图书][B] Hypoelliptic estimates and spectral theory for Fokker-Planck operators and Witten Laplacians

F Nier, B Helffer - 2005 - books.google.com
There has recently been a renewal of interest in Fokker-Planck operators, motivated by
problems in statistical physics, in kinetic equations, and differential geometry. Compared to …

The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics

B Leimkuhler, C Matthews… - IMA Journal of Numerical …, 2016 - academic.oup.com
We consider numerical methods for thermodynamic sampling, ie, computing sequences of
points distributed according to the Gibbs–Boltzmann distribution, using Langevin dynamics …

On Explicit -Convergence Rate Estimate for Underdamped Langevin Dynamics

Y Cao, J Lu, L Wang - Archive for Rational Mechanics and Analysis, 2023 - Springer
We provide a refined explicit estimate of the exponential decay rate of underdamped
Langevin dynamics in the L 2 distance, based on a framework developed in Albritton et …

Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion

T Lelievre, F Nier, GA Pavliotis - Journal of Statistical Physics, 2013 - Springer
We consider non-reversible perturbations of reversible diffusions that do not alter the
invariant distribution and we ask whether there exists an optimal perturbation such that the …

Short and long time behavior of the Fokker–Planck equation in a confining potential and applications

F Hérau - Journal of Functional Analysis, 2007 - Elsevier
Short and long time behavior of the Fokker–Planck equation in a confining potential and
applications Page 1 Journal of Functional Analysis 244 (2007) 95–118 www.elsevier.com/locate/jfa …