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Register a new userBetter HMC integrators for dynamical simulations
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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.
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We discuss how dynamical fermion computations may be made yet cheaper by using symplectic integrators that conserve energy much more accurately without decreasing the integration step size. We first explain why symplectic integrators exactly conserve a ``shadow Hamiltonian close to the desired one, and how this Hamiltonian may be computed in terms of Poisson brackets. We then discuss how classical mechanics may be implemented on Lie groups and derive the form of the Poisson brackets and force terms for some interesting integrators such as those making use of second derivatives of the action (Hessian or force gradient integrators). We hope that these will be seen to greatly improve energy conservation for only a small additional cost and that their use will significantly reduce the cost of dynamical fermion computations.
We apply the Hybrid Monte Carlo method to the simulation of overlap fermions. We give the fermionic force for the molecular dynamics update. We present early results on a small dynamical chiral ensemble.
Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.
We present results of a hybrid Monte-Carlo algorithm for dynamical, $n_f=2$, four-dimensional QCD with overlap fermions. The fermionic force requires careful treatment, when changing topological sectors. The pion mass dependence of the topological susceptibility is studied on $6^4$ and $12cdot 6^3$ lattices. The results are transformed into physical units.
Polynomial approximations to the inverse of the fermion matrix are used to filter the dynamics of the upper energy scales in HMC simulations. The use of a multiple time-scale integration scheme allows the filtered pseudofermions to be evolved using a coarse step size. We introduce a novel generalisation of the nested leapfrog which allows for far greater flexibility in the choice of time scales. We observe a reduction in the computational expense of the molecular dynamics integration of between 3--5 which improves as the quark mass decreases.
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