Related papers: A trigonometric integrator for the constrained rin…
This letter studies symmetric and symplectic exponential integrators when applied to numerically computing nonlinear Hamiltonian systems. We first establish the symmetry and symplecticity conditions of exponential integrators and then show…
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…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
The parareal in time algorithm allows to efficiently use parallel computing for the simulation of time-dependent problems. It is based on a decomposition of the time interval into subintervals, and on a predictor-corrector strategy, where…
We revisit the classical problem of 3D shape interpolation and propose a novel, physically plausible approach based on Hamiltonian dynamics. While most prior work focuses on synthetic input shapes, our formulation is designed to be…
We prove that the recently developed semiexplicit symplectic integrators for non-separable Hamiltonian systems preserve any linear and quadratic invariants possessed by the Hamiltonian systems. This is in addition to being symmetric and…
Symplectic integrators offer many advantages for the numerical solution of Hamiltonian differential equations, including bounded energy error and the preservation of invariant sets. Two of the central Hamiltonian systems encountered in…
In this work, we introduce a quadratically convergent and dynamically consistent integrator specifically designed for the replicator dynamics. The proposed scheme combines a two-stage rational approximation with a normalization step to…
Gravitational and electromagnetic interactions are Hamiltonian systems with forces between pairs of particles. We propose an alternative: Hamiltonian dynamics with triplet interactions between point particles. Our system has a potential…
We quantize a compactified version of the trigonometric Ruijse\-naars-Schneider particle model with a phase space that is symplectomorphic to the complex projective space CP^N. The quantum Hamiltonian is realized as a discrete difference…
In this paper we consider finite-dimensional constrained Hamiltonian systems of polynomial type. In order to compute the complete set of constraints and separate them into the first and second classes we apply the modern algorithmic methods…
Numerical algorithms based on variational and symplectic integrators exhibit special features that make them promising candidates for application to general relativity and other constrained Hamiltonian systems. This paper lays part of the…
We present an algorithm for constructing analytically approximate integrals of motion in simple time periodic Hamiltonians of the form $H=H_0+ \varepsilon H_i$, where $\varepsilon$ is a perturbation parameter. We apply our algorithm in a…
We aim to completely formalize the rough topological analysis of integrable Hamiltonian systems admitting analytical solutions such that the initial phase variables along with the time derivatives of the auxiliary variables are expressed as…
In this paper, we study the persistence of invariant tori of integrable Hamiltonian systems satisfying R\"{u}ssmann's non-degeneracy condition when symplectic integrators are applied to them. Meanwhile, we give an estimate of the measure of…
Building on Paper I of this series, which introduced path integral Monte Carlo (PIMC) estimators for the derivative of the potential of mean force (PMF), we propose two path integral molecular dynamics (PIMD) integrators that can make use…
Hamiltonian Monte Carlo (HMC) improves the computational efficiency of the Metropolis algorithm by reducing its random walk behavior. Riemannian Manifold HMC (RMHMC) further improves HMC's performance by exploiting the geometric properties…
We study the integrability of a two-dimensional Hamiltonian system with a gyroscopic term and a non-homogeneous potential composed of two homogeneous components of different degrees. The model describes the motion of a particle in a plane…
In this paper, we analyse the long-time behaviour of the extended RKN (ERKN) integrators for solving highly oscillatory Hamiltonian systems with a slowly varying, solution-dependent high frequency. We prove that a symmetric ERKN integrator…
This article considers Hamiltonian mechanical systems with potential functions admitting jump discontinuities. The focus is on accurate and efficient numerical approximations of their solutions, which will be defined via the laws of…