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A vector field splitting approach is discussed for the systematic derivation of numerical propagators for deterministic dynamics. Based on the formalism, a class of numerical integrators for Langevin dynamics are presented for single and…

Computational Physics · Physics 2009-11-13 Simone Melchionna

We study the discretization of (almost-)Dirac structures using the notion of retraction and discretization maps on manifolds. Additionally, we apply the proposed discretization techniques to obtain numerical integrators for port-Hamiltonian…

Numerical Analysis · Mathematics 2025-05-12 María Barbero-Liñán , Juan Manuel López Medel , David Martín de Diego

We propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isothermal-isobaric ensembles. We also present a symplectic algorithm in the constant normal pressure and lateral…

Statistical Mechanics · Physics 2007-05-23 Hisashi Okumura , Satoru G. Itoh , Yuko Okamoto

A variational formulation for non-equilibrium thermodynamics was developed by Gay-Balmaz and Yoshimura. In a recent article, the first two authors of the present paper introduced partially cosymplectic structures as a geometric framework…

Mathematical Physics · Physics 2026-02-03 Jaime Bajo , Manuel de León , Asier López-Gordón

Because of the significant increase in size and complexity of the networks, the distributed computation of eigenvalues and eigenvectors of graph matrices has become very challenging and yet it remains as important as before. In this paper…

Numerical Analysis · Mathematics 2017-11-27 Konstantin Avrachenkov , Philippe Jacquet , Jithin Sreedharan

Circuit quantization is an extraordinarily successful theory that describes the behavior of quantum circuits with high precision. The most widely used approach of circuit quantization relies on introducing a classical Lagrangian whose…

Quantum Physics · Physics 2024-04-12 Andrew Osborne , Trevyn Larson , Sarah Jones , Ray W. Simmonds , András Gyenis , Andrew Lucas

Computational modeling of multicellular systems may aid in untangling cellular dynamics and emergent properties of biological cell populations. A key challenge is to balance the level of model detail and the computational efficiency, while…

Quantitative Methods · Quantitative Biology 2026-04-22 Erik Blom , Stefan Engblom

We introduce the concept of Hamiltonian potential variables to map Hamiltonian operators into symplectic operators in a dual space. This generalises the classical trick of switching to a potential variable to obtain a Lagrangian density for…

Exactly Solvable and Integrable Systems · Physics 2026-04-22 Pierandrea Vergallo , Mats Vermeeren

We propose a class of Particle-In-Cell (PIC) methods for the Vlasov-Poisson system with a strong and inhomogeneous external magnetic field with fixed direction, where we focus on the motion of particles in the plane orthogonal to the…

Numerical Analysis · Mathematics 2017-01-25 Francis Filbet , Luis Rodrigues

This review paper is devoted to presenting the standard multisymplectic formulation for describing geometrically classical field theories, both the regular and singular cases. First, the main features of the Lagrangian formalism are…

Mathematical Physics · Physics 2015-12-15 Narciso Román-Roy

A fast algorithm to study one-dimensional self-gravitating systems, and, more generally, systems that are Lagrangian integrable between collisions, is presented. The algorithm is event-driven, and uses a heap-ordered set of predicted future…

Disordered Systems and Neural Networks · Physics 2007-05-23 Alain Noullez , Duccio Fanelli , Erik Aurell

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 present a geometric algorithm for obtaining consistent solutions to systems of partial differential equations, mainly arising from singular covariant first-order classical field theories. This algorithm gives an intrinsic description of…

Mathematical Physics · Physics 2015-12-15 M. de Leon , J. Marin-Solano , J. C. Marrero , M. C. Munoz-Lecanda , N. Roman-Roy

We present a novel framework for Finite Element Particle-in-Cell methods based on the discretization of the underlying Hamiltonian structure of the Vlasov-Maxwell system. We derive a semi-discrete Poisson bracket, which retains the defining…

Numerical Analysis · Mathematics 2017-10-05 Michael Kraus , Katharina Kormann , Philip J. Morrison , Eric Sonnendrücker

We propose the difference discrete variational principle in discrete mechanics and symplectic algorithm with variable step-length of time in finite duration based upon a noncommutative differential calculus established in this paper. This…

Mathematical Physics · Physics 2018-01-17 Xu-Dong Luo , Han-Ying Guo , Yu-Qi Li , Ke Wu

An overview of Hamiltonian systems with noncanonical Poisson structures is given. Examples of bi-Hamiltonian ode's, pde's and lattice equations are presented. Numerical integrators using generating functions, Hamiltonian splitting,…

Exactly Solvable and Integrable Systems · Physics 2007-05-23 B. Karasözen

A symplectic theory approach is devised for solving the problem of algebraic-analytical construction of integral submanifold imbeddings for integrable (via the nonabelian Liouville-Arnold theorem) Hamiltonian systems on canonically…

Dynamical Systems · Mathematics 2015-06-26 Anatoliy K. Prykarpatsky

This paper deals with three technical ingredients of geometry for quantum information. Firstly, we give an algorithm to obtain diagonal basis matrices for submodules of the Z_{d}-module Z_{d}^{n} and we describe the suitable computational…

Mathematical Physics · Physics 2008-09-19 Olivier Albouy

In this paper, we introduce two types of variational integrators, one originating from the discrete Hamilton's principle while the other from Galerkin variational approach. It turns out that these variational integrators are equivalent to…

Numerical Analysis · Mathematics 2025-07-23 Wensheng Tang

We study numerically classical 1-dimensional Hamiltonian lattices involving inter-particle long range interactions that decay with distance like 1/r^alpha, for alpha>=0. We demonstrate that although such systems are generally characterized…

Chaotic Dynamics · Physics 2015-09-01 Helen Christodoulidi , Tassos Bountis , Lambros Drossos