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Hamilton's equations of motion form a fundamental framework in various branches of physics, including astronomy, quantum mechanics, particle physics, and climate science. Classical numerical solvers are typically employed to compute the…

Machine Learning · Computer Science 2024-10-25 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

Integrals of the Liouville $1$-form, known as the first Poincar\'e integral invariant, provide a computable figure of merit for monitoring the conservation of symplecticity in the numerical integration of Hamiltonian systems. These…

Plasma Physics · Physics 2025-12-17 William Barham , J. W. Burby

A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…

Computational Physics · Physics 2007-05-23 Igor P. Omelyan

In this note, we propose a symplectic algorithm for the stable manifolds of the Hamilton-Jacobi equations combined with an iterative procedure in [Sakamoto-van~der Schaft, IEEE Transactions on Automatic Control, 2008]. Our algorithm…

Optimization and Control · Mathematics 2021-08-16 Guoyuan Chen , Gaosheng Zhu

Common time-explicit numerical methods for kinetic simulations of plasmas in the low-collisions limit fall into two classes of algorithms: momentum conserving and energy conserving. Each has certain drawbacks. The PIC algorithm does not…

Plasma Physics · Physics 2015-06-11 E. G. Evstatiev , B. A. Shadwick

We establish an analytical criterion for dynamical thermalization within harmonic systems, applicable to both classical and quantum models. Specifically, we prove that thermalization of various observables, such as particle energies in…

Statistical Mechanics · Physics 2025-07-29 Marco Cattaneo , Marco Baldovin , Dario Lucente , Paolo Muratore-Ginanneschi , Angelo Vulpiani

Long-term stability studies of nonlinear Hamiltonian systems require symplectic integration algorithms which are both fast and accurate. In this paper, we study a symplectic integration method wherein the symplectic map representing the…

Computational Physics · Physics 2007-05-23 Govindan Rangarajan

The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…

Computational Physics · Physics 2017-05-24 Giovanni Lapenta , Diego Gonzalez-Herrero , Elisabetta Boella

Microscopically conserving reduced models of many-body systems have a long, highly successful history. Established theories of this type are the random-phase approximation for Coulomb fluids and the particle-particle ladder model for…

Strongly Correlated Electrons · Physics 2019-07-19 Frederick Green

We investigate the performance of various methods of symplectic integration, which are based on two part splitting of the integration operator, for the numerical integration of multidimensional Hamiltonian systems. We implement these…

Dynamical Systems · Mathematics 2017-03-07 Bob Senyange

This paper discusses a novel fully implicit formulation for a 1D electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov-Poisson…

Computational Physics · Physics 2015-03-17 Guangye Chen , Luis Chacón , Daniel C. Barnes

We present a geometric Particle-in-Cell (PIC) algorithm on two-dimensional (2D) unstructured meshes for studying electrostatic perturbations in magnetized plasmas. In this method, ions are treated as fully kinetic particles, and electrons…

Plasma Physics · Physics 2021-08-11 Zhenyu Wang , Hong Qin , Benjamin Sturdevant , C. S. Chang

We analyze a new class of time-periodic nonreciprocal dynamics in interacting chaotic classical spin systems, whose equations of motion are conservative (phase-space-volume-preserving) yet possess no symplectic structure. As a result, the…

Statistical Mechanics · Physics 2023-11-09 Adam J. McRoberts , Hongzheng Zhao , Roderich Moessner , Marin Bukov

Starting from a microscopic theory, we derive a master equation for a harmonic oscillator coupled to a bath of non-interacting oscillators. We follow a non-perturbative approach, proposed earlier by us for the free Brownian particle. The…

Quantum Physics · Physics 2013-05-29 Jishad Kumar , S. Sinha , P. A. Sreeram

Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap…

Quantum Physics · Physics 2023-05-22 Yongdan Yang , Ying Li , Xiaosi Xu , Xiao Yuan

We suggest a numerical integration procedure for solving the equations of motion of certain classical spin systems which preserves the underlying symplectic structure of the phase space. Such symplectic integrators have been successfully…

Statistical Mechanics · Physics 2007-05-23 Robin Steinigeweg , Heinz-Jürgen Schmidt

We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…

Quantum Physics · Physics 2012-12-27 Paolo Amore , Francisco M. Fernández

We present a brief tutorial on the nuts and bolts computation of a multisymplectic particle-in-cell algorithm using the discretized Lagrangian approach. This approach, originated by Marsden, Shadwick, and others, brings the benefits of…

Plasma Physics · Physics 2014-09-18 Stephen D. Webb

Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics like work, heat and entropy production to the level of individual trajectories of well-defined…

Statistical Mechanics · Physics 2015-06-05 Udo Seifert

We describe a symplectic approach towards thermodynamics in which thermodynamic transformations are described by (symplectic) Hamiltonian dynamics. Upon identifying the spaces of equilibrium states with Lagrangian submanifolds of a…

Mathematical Physics · Physics 2026-05-01 Aritra Ghosh , E. Harikumar