Related papers: N-body Integrators with Individual Time Steps from…
Efficient fourth order symplectic integrators are proposed for numerical integration of separable Hamiltonian systems H(p,q)=T(p)+V(q). Symmetric splitting coefficients with five to nine stages are obtained by higher order decomposition of…
We review the recent optimizations of gravitational $N$-body kernels for running them on graphics processing units (GPUs), on single hosts and massive parallel platforms. For each of the two main $N$-body techniques, direct summation and…
We show that adaptive time stepping in particle accelerator simulation is an enhancement for certain problems. The new algorithm has been implemented in the OPAL (Object Oriented Parallel Accelerator Library) framework, and is compared to…
We present a new parallel code for computing the dynamical evolution of collisional N-body systems with up to N~10^7 particles. Our code is based on the the Henon Monte Carlo method for solving the Fokker-Planck equation, and makes…
We present non-convex maximal dissipation principle (NMDP), a time integration scheme for articulated bodies with simultaneous contacts. Our scheme resolves contact forces via the maximal dissipation principle (MDP). Prior MDP solvers…
Several integration schemes exits to solve the equations of motion of the $N$-body problem. The Lie-integration method is based on the idea to solve ordinary differential equations with Lie-series. In the 1980s this method was applied for…
We show how to improve the molecular dynamics step of Hybrid Monte Carlo, both by tuning the integrator using Poisson brackets measurements and by the use of force gradient integrators. We present results for moderate lattice sizes.
Exact nonadiabatic quantum evolution preserves many geometric properties of the molecular Hilbert space. In a companion paper [S. Choi and J. Van\'{\i}\v{c}ek, 2019], we presented numerical integrators of arbitrary-order of accuracy that…
We develop a class of C1-continuous time integration methods that are applicable to conservative problems in elastodynamics. These methods are based on Hamilton's law of varying action. From the action of the continuous system we derive a…
We provide a fully nonlinear port-Hamiltonian formulation for discrete elastodynamical systems as well as a structure-preserving time discretization. The governing equations are obtained in a variational manner and represent index-1…
We consider an analytic way to make the interacting N-body problem tractable by using harmonic oscillators in place of the relevant two-body interactions. The two body terms of the N-body Hamiltonian are approximated by considering the…
This paper deals with the numerical integration of Hamiltonian systems in which a stiff anharmonic potential causes highly oscillatory solution behavior with solution-dependent frequencies. The impulse method, which uses micro- and…
We propose a model describing $N$ spin-1/2 systems coupled through $N$-order homogeneous interaction terms, in presence of local time-dependent magnetic fields. This model can be experimentally implemented with current technologies in…
Understanding the complex behavior of molecular systems is fundamental to fields such as physics, materials science, and biology. Molecular dynamics (MD) simulations are crucial tools for studying atomic-level dynamics. This work focuses on…
Structure-preserving integrators are in the focus of ongoing research because of their distinguished features of robustness and long time stability. In particular, their formulation for coupled problems that include dissipative mechanisms…
High order energy-preserving methods for Hamiltonian systems are presented. For this aim, an energy-preserving condition of continuous stage Runge--Kutta methods is proved. Order conditions are simplified and parallelizable conditions are…
The thermodynamic behaviour of self-gravitating $N$-body systems has been worked out by borrowing a standard method from Molecular Dynamics: the time averages of suitable quantities are numerically computed along the dynamical trajectories…
The Boris algorithm, a closely related variational integrator and a newly proposed filtered variational integrator are studied when they are used to numerically integrate the equations of motion of a charged particle in a non-uniform strong…
Hamiltonian splitting methods are an established technique to derive stable and accurate integration schemes in molecular dynamics, in which additional accuracy can be gained using force gradients. For rigid bodies, a tradition exists in…
In this paper we describe a new algorithm for the long-term numerical integration of the two-body problem, in which two particles interact under a Newtonian gravitational potential. Although analytical solutions exist in the unperturbed and…