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We address the problem of constructing accurate mathematical models of the dynamics of molecular systems projected on a collective variable. To this aim we introduce an algorithm optimizing the parameters of a standard or generalized…

Statistical Mechanics · Physics 2018-10-02 Andrea Pérez-Villa , Fabio Pietrucci

Through an exact analysis using quantum Langevin dynamics, we demonstrate the crossover from ballistic to diffusive thermal transport in a harmonic chain with each site connected to Ohmic heat reservoirs. The temperatures of the two heat…

Statistical Mechanics · Physics 2009-11-13 Dibyendu Roy

Recently the possibility of generating nonclassical polariton states by means of parametric scattering has been demonstrated. Excitonic polaritons propagate in a complex interacting environment and contain real electronic excitations…

Mesoscale and Nanoscale Physics · Physics 2007-10-16 S. Portolan , O. Di Stefano , S. Savasta , F. Rossi , R. Girlanda

In this paper, we consider the generalised (higher order) Langevin equation for the purpose of simulated annealing and optimisation of nonconvex functions. Our approach modifies the underdamped Langevin equation by replacing the Brownian…

Probability · Mathematics 2023-11-01 Martin Chak , Nikolas Kantas , Grigorios A. Pavliotis

We study a non-ergodic transition in a many-body Langevin system. We first derive an equation for the two-point time correlation function of density fluctuations, ignoring the contributions of the third- and fourth-order cumulants. For this…

Statistical Mechanics · Physics 2009-11-11 Mami Iwata , Shin-ichi Sasa

Numerical simulations of fast remagnetization processes using the stochastic dynamics are widely used to study various magnetic systems. In this paper we first address several crucial methodological problems of such simulations: (i) the…

Other Condensed Matter · Physics 2009-11-10 Dmitri V. Berkov , Natalia L. Gorn

In the replica-exchange molecular dynamics method, where constant-temperature molecular dynamics simulations are performed in each replica, one usually rescales the momentum of each particle after replica exchange. This rescaling method had…

Statistical Mechanics · Physics 2010-04-14 Yoshiharu Mori , Yuko Okamoto

We investigate the importance of including quantized initial conditions in Langevin dynamics for adsorbates interacting with a thermal reservoir of electrons. For quadratic potentials the time evolution is exactly described by a classical…

Materials Science · Physics 2010-07-23 Thomas Olsen , Jakob Schiøtz

In this paper, we present a Hamiltonian identification method for a closed quantum system whose time trace observables are measured with colored measurement noise. The dynamics of the quantum system are described by a Liouville equation…

Systems and Control · Computer Science 2020-10-20 Lingyu Tan , Daoyi Dong , Dewei Li , Shibei Xue

We study an inertial Brownian particle moving in a symmetric periodic substrate, driven by a zero-mean biharmonic force and correlated thermal noise. The Brownian motion is described in terms of a Generalized Langevin Equation with an…

Statistical Mechanics · Physics 2010-10-19 Lukasz Machura , Jerzy Luczka

The quantum Langevin equation as obtained from the independent-oscillator model describes a strong-coupling situation, devoid of the Born-Markov approximation that is employed in the context of the Gorini-Kossakowski-Sudarshan-Lindblad…

Quantum Physics · Physics 2024-07-19 Aritra Ghosh , Sushanta Dattagupta

For a wide class of stochastic athermal systems, we derive Langevin-like equations driven by non-Gaussian noise, starting from master equations and developing a new asymptotic expansion. We found an explicit condition whereby the…

Statistical Mechanics · Physics 2015-03-10 Kiyoshi Kanazawa , Tomohiko G. Sano , Takahiro Sagawa , Hisao Hayakawa

Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…

Chemical Physics · Physics 2024-06-06 Martin Mäck , Samuel L. Rudge , Michael Thoss

A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…

Soft Condensed Matter · Physics 2016-08-31 A. Kolb , B. Duenweg

We develop a systematic approach to the linear-noise approximation for stochastic reaction systems with distributed delays. Unlike most existing work our formalism does not rely on a master equation, instead it is based upon a dynamical…

Statistical Mechanics · Physics 2013-12-13 Tobias Brett , Tobias Galla

We consider a system in direct contact with a thermal reservoir and which, if left unperturbed, is well described by a memory-less equilibrium Langevin equation of the second order in the time coordinate. In such conditions, the strength of…

Statistical Mechanics · Physics 2015-05-13 Paolo De Gregorio , Lamberto Rondoni , Michele Bonaldi , Livia Conti

The numerical investigation of the statics and dynamics of systems in nonequilibrium in general, and under shear flow in particular, has become more and more common. However, not all the numerical methods developed to simulate equilibrium…

Soft Condensed Matter · Physics 2019-02-08 José Ruiz-Franco , Lorenzo Rovigatti , Emanuela Zaccarelli

We reformulate stochastic thermodynamics in terms of noise realizations for Langevin systems in contact with multiple reservoirs and investigated the structure of the second laws of thermodynamics. We derive a hierarchy of fluctuation…

Statistical Mechanics · Physics 2020-01-08 Jae Sung Lee , Hyunggyu Park

Different quantum Langevin equations obtained by coupling a particle to a field are examined. Instabilities or violations of causality affect the motion of a point charge linearly coupled to the electromagnetic field. In contrast, coupling…

Quantum Physics · Physics 2023-04-14 Marc-Thierry Jaekel , Serge Reynaud

Langevin simulation provides an effective way to study collisional effects in beams by reducing the six-dimensional Fokker-Planck equation to a group of stochastic ordinary differential equations. These resulting equations usually have…

Accelerator Physics · Physics 2007-05-23 Ji Qiang , Salman Habib
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