Related papers: Single flavour optimisations to Hybrid Monte Carlo
Efficient continuous time quantum Monte Carlo (CT-QMC) algorithms that do not suffer from time discretization errors have become the state-of-the-art for most discrete quantum models. They have not been widely used yet for fermionic quantum…
We develop the self-learning Monte Carlo (SLMC) method, a general-purpose numerical method recently introduced to simulate many-body systems, for studying interacting fermion systems. Our method uses a highly-efficient update algorithm,…
We investigate instability and reversibility within Hybrid Monte Carlo simulations using a non-perturbatively improved Wilson action. We demonstrate the onset of instability as tolerance parameters and molecular dynamics step sizes are…
We show how the integrators used for the molecular dynamics step of the Hybrid Monte Carlo algorithm can be further improved. These integrators not only approximately conserve some Hamiltonian $H$ but conserve exactly a nearby shadow…
In lattice QCD the calculation of disconnected quark loops from the trace of the inverse quark matrix has large noise variance. A multilevel Monte Carlo method is proposed for this problem that uses different degree polynomials on a…
We introduce methodologies for highly scalable quantum Monte Carlo simulations of electron-phonon models, and report benchmark results for the Holstein model on the square lattice. The determinant quantum Monte Carlo (DQMC) method is a…
We present a detailed design of a (P)HMC simulation algorithm for N_f = 2 + 1 + 1 maximally twisted Wilson quark flavours. The algorithm retains even/odd and mass-shift preconditionings combined with multiple Molecular Dynamics time scales…
We investigate the algorithms for dynamical overlap fermions aiming at improving the performance for large-scale simulations. We look for the best combination of Hybrid Monte Carlo options and iterative quark solvers with respect to the…
The performance of the two-step multiboson (TSMB) algorithm is investigated in comparison with the hybrid Monte Carlo (HMC) method for compact lattice QED with standard Wilson fermions both in the Coulomb and confinement phases. The…
The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here we introduce the theory and…
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…
Hamiltonian Monte Carlo (HMC) is a powerful Markov chain Monte Carlo (MCMC) method for performing approximate inference in complex probabilistic models of continuous variables. In common with many MCMC methods, however, the standard HMC…
Reweighting is not a new method in lattice QCD, but a comprehensive analysis is missing in the literature. We close this gap by presenting: (i) a proof of an integral representation of the complex determinant of a complex matrix, (ii) a…
We report on our implementation of the RHMC algorithm for the simulation of lattice QCD with two staggered flavors on Graphics Processing Units, using the NVIDIA CUDA programming language. The main feature of our code is that the GPU is not…
The Direct Simulation Monte Carlo (DSMC) method is widely employed for simulating rarefied nonequilibrium gas flows. With advances in aerospace engineering and micro/nano-scale technologies, gas flows exhibit the coexistence of rarefied and…
We present a new lattice Monte Carlo approach developed for studying large numbers of strongly interacting nonrelativistic fermions, and apply it to a dilute gas of unitary fermions confined to a harmonic trap. Our lattice action is highly…
We report on coding and performance of our polynomial hybrid Monte Carlo program on the Earth Simulator. At present the entire program achieves 25--40% efficiency. An analysis of overheads shows that a tuning of inter-node communications is…
Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain…
Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…
Traditionally, the field of computational Bayesian statistics has been divided into two main subfields: variational methods and Markov chain Monte Carlo (MCMC). In recent years, however, several methods have been proposed based on combining…