Related papers: Speeding up HMC with better integrators
The evolution of any factorized time-reversible symplectic integrators, when applied to the harmonic oscillator, can be exactly solved in a closed form. The resulting modified Hamiltonians demonstrate the convergence of the Lie series…
It is well-known that if a symplectic integrator is applied to a Hamiltonian system, then the modified equation, whose solutions interpolate the numerical solutions, is again Hamiltonian. We investigate this property from the variational…
The dominant cost of most lattice QCD simulations is the inversion of the Dirac operator required to calculate the force term in the RHMC update. One way to improve this situation is to use multiple pseudofermions, which reduces the size…
Numerical methods that preserves geometric invariants of the system such as energy, momentum and symplectic form, are called geometric integrators. These include variational integrators as an important subclass of geometric integrators. The…
We present sixth- and eighth-order Hermite integrators for astrophysical $N$-body simulations, which use the derivatives of accelerations up to second order ({\it snap}) and third order ({\it crackle}). These schemes do not require previous…
We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to…
We present a new class of high-order variational integrators on Lie groups. We show that these integrators are symplectic, momentum preserving, and can be constructed to be of arbitrarily high-order, or can be made to converge…
In this paper, a stochastic Hamiltonian formulation (SHF) is proposed and applied to dissipative particle dynamics (DPD) simulations. As an extension of Hamiltonian dynamics to stochastic dissipative systems, the SHF provides necessary…
We have proposed new algorithms for the numerical integration of the equations of motion for classical spin systems. In close analogy to symplectic integrators for Hamiltonian equations of motion used in Molecular Dynamics these algorithms…
In this paper I propose the use of a lattice derivative operator that is equivalent to the ideal SLAC derivative operator in all lattice calculations, but without the prohibitively expensive computational cost of the latter. A pedagogical…
We describe how to incorporate symmetries of the Hamiltonian into auxiliary-field quantum Monte Carlo calculations (AFQMC). Focusing on the case of Abelian symmetries, we show that the computational cost of most steps of an AFQMC…
On this paper, we have proposed an approach to observe the time-centered difference scheme for dissipative mechanical systems from a Hamiltonian perspective and to introduce the idea of symplectic algorithm to dissipative systems. The…
Symplectic slice theorems elucidate the local structure of symplectic manifolds carrying Hamiltonian actions of compact Lie groups. We generalize these theorems in two natural settings. The first is based on the idea that complex reductive…
We show that symplectic Runge-Kutta methods provide effective symplectic integrators for Hamiltonian systems with index one constraints. These include the Hamiltonian description of variational problems subject to position and velocity…
We construct symplectic integrators for Lie-Poisson systems. The integrators are standard symplectic (partitioned) Runge--Kutta methods. Their phase space is a symplectic vector space with a Hamiltonian action with momentum map $J$ whose…
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…
Multi-symplectic integrators are typically regarded as a discretization of the Hamiltonian partial differential equations. This is due to the fact that, for generic finite-dimensional Hamiltonian systems, there exists only one independent…
An energy-conserving and an energy-and-enstrophy conserving numerical schemes are derived, by approximating the Hamiltonian formulation, based on the Poisson brackets and the vorticity-divergence variables, of the inviscid shallow water…
Discrete variational methods show excellent performance in numerical simulations of mechanical systems. In this paper, we adapt discrete variational integrators for the case of mechanical systems with double-bracket dissipation. In…
Retraction maps have been generalized to discretization maps in (Barbero Li\~n\'an and and Mart\'{\i}n de Diego, 2022). Discretization maps are used to systematically derive numerical integrators that preserve the symplectic structure, as…