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We introduce a matrix-product state based method to efficiently obtain dynamical response functions for two-dimensional microscopic Hamiltonians, which we apply to different phases of the Kitaev-Heisenberg model. We find significant broad…

Strongly Correlated Electrons · Physics 2017-10-18 Matthias Gohlke , Ruben Verresen , Roderich Moessner , Frank Pollmann

We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are build on our previously developed…

Statistical Mechanics · Physics 2014-11-20 Niels Grønbech-Jensen , Oded Farago

A general formalism is developed for constructing modified Hamiltonian dynamical systems which preserve a canonical equilibrium distribution by adding a time evolution equation for a single additional thermostat variable. When such systems…

Statistical Mechanics · Physics 2015-12-09 John D. Ramshaw

We introduce a simple ansatz for the wavefunction of a many-body system based on coupled forward and backward-propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in…

Chemical Physics · Physics 2018-05-01 Shunsuke A. Sato , Aaron Kelly , Angel Rubio

In this paper a one-dimensional model of two infinite gases separated by a movable heavy piston is considered. The non-linear Langevin equation for the motion of the piston is derived from first principles for the case when the…

Statistical Mechanics · Physics 2016-08-31 Alexander Plyukhin , Jeremy Schofield

We introduce a projected complex Langevin (CL) numerical sampling method -- a fictitious Langevin dynamics scheme that uses numerical projection to sample a constrained stationary distribution with highly oscillatory character. Despite the…

Quantum Gases · Physics 2025-03-04 Ethan C. McGarrigle , Hector D. Ceniceros , Glenn H. Fredrickson

The canonical treatment of dynamic systems with manifest Lagrangian constraints proposed by Berezin is applied to concrete examples: a special Lagrangian linear in velocities, relativistic particles in proper time gauge, a relativistic…

High Energy Physics - Theory · Physics 2007-05-23 B. M. Barbashov

The dynamics of an ensemble of bistable elements under the influence of noise and with global time-delayed coupling is studied numerically by using a Langevin description and analytically by using 1) a Gaussian approximation and 2) a…

Statistical Mechanics · Physics 2009-11-10 Daniel Huber , Lev S. Tsimring

This article deals with the realisation of constraints in underdamped Langevin dynamics via soft-constrained dynamics. Specifically, we study systems with a large (or small) parameter that controls the constraint mechanisms, e.g. the…

Probability · Mathematics 2026-04-03 Carsten Hartmann , Lara Neureither , Upanshu Sharma

In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static…

Strongly Correlated Electrons · Physics 2023-04-19 Dariia Yehorova , Joshua S. Kretchmer

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 governing the Langevin…

Statistical Mechanics · Physics 2008-08-22 Cristian Micheletti , Giovanni Bussi , Alessandro Laio

We investigate the asymptotic distributions of periodically driven anharmonic Langevin systems. Utilizing the underlying $SL_2$ symmetry of the Langevin dynamics, we develop a perturbative scheme in which the effect of periodic driving can…

Statistical Mechanics · Physics 2021-06-30 Shakul Awasthi , Sreedhar B. Dutta

The kinetic Langevin dynamics finds diverse applications in various disciplines such as molecular dynamics and Hamiltonian Monte Carlo sampling. In this paper, a novel splitting scalar auxiliary variable (SSAV) scheme is proposed for the…

Numerical Analysis · Mathematics 2025-09-05 Lei Dai , Yingsong Jiang , Xiaojie Wang

Stochastic evolutions of classical field theories have recently become popular in the study of problems such as determination of the rates of topological transitions and the statistical mechanics of nonlinear coherent structures. To obtain…

High Energy Physics - Lattice · Physics 2009-10-31 Luis M. A. Bettencourt , Salman Habib , Grant Lythe

We propose a derivation of a nonequilibrium Langevin dynamics for a large particle immersed in a background flow field. A single large particle is placed in an ideal gas heat bath composed of point particles that are distributed…

Mathematical Physics · Physics 2012-10-17 Matthew Dobson , Frédéric Legoll , Tony Lelièvre , Gabriel Stoltz

In the field of machine learning coarse-grained potentials in molecular dynamics, many propagators require that the effective Hamiltonian is quadratic in momentum, thus limiting the family of coarse-graining functions. In this paper, we…

Chemical Physics · Physics 2025-12-10 Andy Bruce , Alexander Aghili , Razvan Marinescu , Daniel Sabo

We show how Langevin diffusions can be interpreted in the context of stochastic Hamiltonian systems with structure-preserving noise and dissipation on reductive Lie groups. Reductive Lie groups provide the setting in which the Lie group…

Probability · Mathematics 2025-09-15 Erwin Luesink , Oliver D. Street

The fundamentals of Brownian motion have been largely well understood since the early 20th century, with most recent additions focusing on understanding anomalous diffusion via rescaling of drag coefficents. That focus emphasizes long-time…

Soft Condensed Matter · Physics 2021-11-02 Vyas Ramasubramani , Thi Vo , Joshua A. Anderson , Sharon C. Glotzer

The complex Langevin method is a promising approach to the complex-action problem based on a fictitious time evolution of complexified dynamical variables under the influence of a Gaussian noise. Although it is known to have a restricted…

High Energy Physics - Lattice · Physics 2017-01-04 Keitaro Nagata , Jun Nishimura , Shinji Shimasaki

As an extension of the isotropic setting presented in the companion paper [J. Phys. A 52, 144002 (2019)], we consider the Langevin dynamics of a many-body system of pairwise interacting particles in $d$ dimensions, submitted to an external…

Disordered Systems and Neural Networks · Physics 2019-07-23 Elisabeth Agoritsas , Thibaud Maimbourg , Francesco Zamponi