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Many features of a molecule which are of physical interest (e.g. molecular conformations, reaction rates) are described in terms of its dynamics in configuration space. This article deals with the projection of molecular dynamics in phase…

Dynamical Systems · Mathematics 2015-10-28 Andreas Bittracher , Carsten Hartmann , Oliver Junge , Péter Koltai

We present a deep learning approximation, stochastic optimization based, method for wave kinetic equations. To build confidence in our approach, we apply the method to a Smoluchowski coagulation equation with multiplicative kernel for which…

Numerical Analysis · Mathematics 2022-09-27 Steven Walton , Minh-Binh Tran , Alain Bensoussan

The Smoluchowski equation is a system of partial differential equations modelling the diffusion and binary coagulation of a large collection of tiny particles. The mass parameter may be indexed either by positive integers, or by positive…

Probability · Mathematics 2008-12-01 Mohammad Reza Yaghouti , Fraydoun Rezakhanlou , Alan Hammond

We study dynamic self-organisation and order-disorder transitions in a two-dimensional system of self-propelled particles. Our model is a variation of the Vicsek model, where particles align the motion to their neighbours but repel each…

Statistical Mechanics · Physics 2013-05-02 Maksym Romenskyy , Vladimir Lobaskin

A link between memory effects in quantum kinetic equations and nonequilibrium correlations associated with the energy conservation is investigated. In order that the energy be conserved by an approximate collision integral, the one-particle…

Statistical Mechanics · Physics 2007-05-23 V. G. Morozov , Gerd Ropke

This work investigates a dynamical system functioning as a nonsmooth adaptation of the continuous Newton method, aimed at minimizing the sum of a primal lower-regular and a locally Lipschitz function, both potentially nonsmooth. The…

Optimization and Control · Mathematics 2024-12-10 Juan Guillermo Garrido , Pedro Pérez-Aros , Emilio Vilches

We analyze two approaches to elimination of a fast variable (velocity) in stochastic systems: moment and cumulant formalisms. With these approaches, we obtain the corresponding Smoluchovski-type equations, which contain only the…

Statistical Mechanics · Physics 2020-04-06 Denis S. Goldobin , Lyudmila S. Klimenko

We present a theory for the construction of renormalized kinetic equations to describe the dynamics of classical systems of particles in or out of equilibrium. A closed, self-consistent set of evolution equations is derived for the…

Classical Physics · Physics 2011-06-09 Jerome Daligault

We use the recently introduced theory for the kinetics of systems of classical particles to investigate systems driven by Smoluchowski dynamics. We investigate the existence of ergodic-nonergodic (ENE) transitions near the liquid-glass…

Soft Condensed Matter · Physics 2011-04-29 Gene F. Mazenko

A modeling framework for the internal conformational dynamics and external mechanical movement of single biological macromolecules in aqueous solution at constant temperature is developed. Both the internal dynamics and external movement…

Biological Physics · Physics 2007-05-23 Hong Qian

Considering systems of self-propelled polar particles with nematic interactions ("rods"), we compare the continuum equations describing the evolution of polar and nematic order parameters, derived either from Smoluchowski or Boltzmann…

Statistical Mechanics · Physics 2015-11-10 Eric Bertin , Aparna Baskaran , Hugues Chaté , M. Cristina Marchetti

We develop further a recent dynamical replica theory to describe the dynamics of the Sherrington-Kirkpatrick spin-glass in terms of closed evolution equations for macroscopic order parameters. We show how microscopic memory effects can be…

Condensed Matter · Physics 2009-10-28 S. N. Laughton , A. C. C. Coolen , D. Sherrington

A system of stochastic differential equations describing diffusive phenomena, which has arbitrary friction depending on both state and distribution is investigated. The Smoluchowski-Kramers approximation is seen to describe dynamics in the…

Probability · Mathematics 2024-06-27 Xueru Liu , Qianqian Jiang , Wei Wang

The theory of growth kinetics developed previously is extended to the asymmetric case of off-critical quenches for systems with a conserved scalar order parameter. In this instance the new parameter $M$, the average global value of the…

Condensed Matter · Physics 2009-10-22 G. F. Mazenko , R. A. Wickham

In this article a stochastic particle system approximation to the parametric sensitivity in the Smoluchowski coagulation equation is introduced. The parametric sensitivity is the derivative of the solution to the equation with respect to…

Probability · Mathematics 2016-09-08 I. Bailleul , P. L. W. Man , M. Kraft

We calculate the Wigner function for massive spin-1/2 particles in an inhomogeneous electromagnetic field to leading order in the Planck constant $\hbar$. Going beyond leading order in $\hbar$ we then derive a generalized Boltzmann equation…

High Energy Physics - Phenomenology · Physics 2019-10-02 Nora Weickgenannt , Xin-li Sheng , Enrico Speranza , Qun Wang , Dirk H. Rischke

We develop a machine learning algorithm to infer the emergent stochastic equation governing the evolution of an order parameter of a many-body system. We train our neural network to independently learn the directed force acting on the order…

Disordered Systems and Neural Networks · Physics 2024-12-10 Francesco Carnazza , Federico Carollo , Sabine Andergassen , Georg Martius , Miriam Klopotek , Igor Lesanovsky

In this note, we study the phase transitions arising in a modified Smoluchowski equation on the sphere with dipolar potential. This equation models the competition between alignment and diffusion, and the modification consists in taking the…

Mathematical Physics · Physics 2012-12-18 Pierre Degond , Amic Frouvelle , Jian-Guo Liu

We restrict our attention to space-time point pattern data for which we have a single realisation within a finite region. Second-order characteristics are used to analyse the spatio-temporal structure of the underlying point process. In…

Statistics Theory · Mathematics 2013-04-29 Edith Gabriel

Starting from the many-particle Smoluchowski equation, we derive dynamical density functional theory for Brownian particles with an arbitrary shape. Both passive and active (self-propelled) particles are considered. The resulting theory…

Soft Condensed Matter · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen