## Abstract

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 Hamiltonian H-tilde. This property allows for a new tuning method of the molecular dynamics integrator and also allows for a new class of integrators (force-gradient integrators) which is expected to reduce significantly the computational cost of future large-scale gauge field ensemble generation.

- Authors:

- Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138 (United States)
- Jefferson Lab, 12000 Jefferson Avenue, Newport News, Virginia 23606 (United States)
- Tait Institute and SUPA, School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3JZ, Scotland (United Kingdom)
- Centro de Fisica Computacional, Universidade de Coimbra (Portugal)

- Publication Date:

- OSTI Identifier:
- 21607738

- Resource Type:
- Journal Article

- Journal Name:
- Physical Review. D, Particles Fields

- Additional Journal Information:
- Journal Volume: 84; Journal Issue: 7; Other Information: DOI: 10.1103/PhysRevD.84.071502; (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0556-2821

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ALGORITHMS; GAUGE INVARIANCE; HAMILTONIANS; LATTICE FIELD THEORY; MOLECULAR DYNAMICS METHOD; MONTE CARLO METHOD; QUANTUM CHROMODYNAMICS; SIMULATION; CALCULATION METHODS; CONSTRUCTIVE FIELD THEORY; FIELD THEORIES; INVARIANCE PRINCIPLES; MATHEMATICAL LOGIC; MATHEMATICAL OPERATORS; QUANTUM FIELD THEORY; QUANTUM OPERATORS

### Citation Formats

```
Clark, M. A., Joo, Balint, Kennedy, A. D., and Silva, P. J.
```*Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator*. United States: N. p., 2011.
Web. doi:10.1103/PHYSREVD.84.071502.

```
Clark, M. A., Joo, Balint, Kennedy, A. D., & Silva, P. J.
```*Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator*. United States. doi:10.1103/PHYSREVD.84.071502.

```
Clark, M. A., Joo, Balint, Kennedy, A. D., and Silva, P. J. Sat .
"Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator". United States. doi:10.1103/PHYSREVD.84.071502.
```

```
@article{osti_21607738,
```

title = {Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator},

author = {Clark, M. A. and Joo, Balint and Kennedy, A. D. and Silva, P. J.},

abstractNote = {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 Hamiltonian H-tilde. This property allows for a new tuning method of the molecular dynamics integrator and also allows for a new class of integrators (force-gradient integrators) which is expected to reduce significantly the computational cost of future large-scale gauge field ensemble generation.},

doi = {10.1103/PHYSREVD.84.071502},

journal = {Physical Review. D, Particles Fields},

issn = {0556-2821},

number = 7,

volume = 84,

place = {United States},

year = {2011},

month = {10}

}

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