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We propose a new explicit pseudo-energy and momentum conserving scheme for the time integration of Hamiltonian systems. The scheme, which is formally second-order accurate, is based on two key ideas: the integration during the time-steps of…

Numerical Analysis · Mathematics 2020-08-14 Frédéric Marazzato , Alexandre Ern , Christian Mariotti , Laurent Monasse

In this work we make use of Livens principle (sometimes also referred to as Hamilton-Pontryagin principle) in order to obtain a novel structure-preserving integrator for mechanical systems. In contrast to the canonical Hamiltonian equations…

Computational Engineering, Finance, and Science · Computer Science 2025-06-24 Philipp L. Kinon , Peter Betsch

We are interested in a class of numerical schemes for the optimization of nonlinear hyperbolic partial differential equations. We present continuous and discretized relaxation schemes for scalar, one-- conservation laws. We present…

Optimization and Control · Mathematics 2012-07-17 M. Herty , L. Pareschi , S. Steffensen

Plastic deformation of most crystalline materials is due to the motion of lattice dislocations. Therefore, the simulation of the interaction and dynamics of these defects has become state-of-the-art method to study work hardening, size…

Materials Science · Physics 2020-10-02 Gábor Péterffy , Péter Dusán Ispánovity

Many applications involve partial differential equations which admits nontrivial steady state solutions. The design of schemes which are able to describe correctly these equilibrium states may be challenging for numerical methods, in…

Analysis of PDEs · Mathematics 2016-02-09 Lorenzo Pareschi , Thomas Rey

The classical dynamics of particles with (non-)abelian charges and spin moving on curved manifolds is established in the Poisson-Hamilton framework. Equations of motion are derived for the minimal quadratic Hamiltonian and some extensions…

High Energy Physics - Theory · Physics 2025-04-15 Jan W. van Holten

We present a novel positive kinetic scheme built on the efficient collide-and-stream algorithm of the lattice Boltzmann method (LBM) to address hyperbolic conservation laws. We focus on the compressible Euler equations with strong…

Numerical Analysis · Mathematics 2024-11-25 Gauthier Wissocq , Yongle Liu , Rémi Abgrall

In this work, we present a modification of explicit Runge-Kutta temporal integration schemes that guarantees the preservation of any locally-defined quasiconvex set of bounds for the solution. These schemes operate on the basis of a…

Numerical Analysis · Mathematics 2023-01-18 Tarik Dzanic , Will Trojak , Freddie D. Witherden

We present a classical simulation method for fermionic quantum systems which, without loss of generality, can be represented by parity-preserving circuits made of two-qubit gates in a brick-wall structure. We map such circuits to a…

Quantum Physics · Physics 2025-04-29 Carolin Wille , Sergii Strelchuk

Structure-preserving algorithms and algorithms with uniform error bound have constituted two interesting classes of numerical methods. In this paper, we blend these two kinds of methods for solving nonlinear Hamiltonian systems with highly…

Numerical Analysis · Mathematics 2021-02-08 Bin Wang , Yaolin Jiang

In an earlier work by a subset of the present authors, the method of the so-called neural deflation was introduced towards identifying a complete set of functionally independent conservation laws of a nonlinear dynamical system. Here, we…

Pattern Formation and Solitons · Physics 2024-10-10 Shaoxuan Chen , Panayotis G. Kevrekidis , Hong-Kun Zhang , Wei Zhu

A new method is proposed for integrating the equations of motion of an elastic filament. In the standard finite-difference and finite-element formulations the continuum equations of motion are discretized in space and time, but it is then…

Computational Physics · Physics 2009-11-13 Anthony JC Ladd , Gaurav Misra

We adapted the SWAP molecular dynamics algorithm for use in lattice Ising spin models. We dressed the spins with a randomly distributed length and we alternated long-range spin exchanges with conventional single spin flip Monte Carlo…

Statistical Mechanics · Physics 2025-10-14 Greivin Alfaro Miranda , Leticia F. Cugliandolo , Marco Tarzia

We study diffusion in systems of classical particles whose dynamics conserves the total center of mass. This conservation law leads to several interesting consequences. In finite systems, it allows for equilibrium distributions that are…

Statistical Mechanics · Physics 2024-01-04 Jung Hoon Han , Ethan Lake , Sunghan Ro

Establishing the existence of periodic orbits is one of the crucial and most intricate topics in the study of dynamical systems, and over the years, many methods have been developed to this end. On the other hand, finding closed orbits in…

Dynamical Systems · Mathematics 2022-01-25 Marian Mrozek , Roman Srzednicki , Justin Thorpe , Thomas Wanner

The equations of classical mechanics can be used to model the time evolution of countless physical systems, from the astrophysical to the atomic scale. Accurate numerical integration requires small time steps, which limits the computational…

Chemical Physics · Physics 2026-03-09 Filippo Bigi , Johannes Spies , Michele Ceriotti

A novel particle merging algorithm for rarefied gas dynamics simulations is proposed that can conserve arbitrary velocity and spatial moments of the particle distribution via solving a non-negative least squares problem. An extension that…

Computational Physics · Physics 2026-04-02 Georgii Oblapenko , Manuel Torrilhon

Inspired by path integral molecular dynamics, we build a spin model, in terms of spin coherent states, from which we can compute the quantum expectation values of a spin in a constant magnetic field, at finite temperature. This formulation…

Materials Science · Physics 2023-11-02 Thomas Nussle , Stam Nicolis , Joseph Barker

In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…

Quantum Physics · Physics 2016-10-21 Alessandro Sergi

This article presents a novel approach to enhance the accuracy of classical quadrature rules by incorporating correction terms. The proposed method is particularly effective when the position of an isolated discontinuity in the function and…

Numerical Analysis · Mathematics 2025-01-27 Shipra Mahata , Samala Rathan , Juan Ruiz-Álvarez , Dionisio F. Yáñez