Numerical integrators for the hybrid Monte Carlo method (Q6486744)
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scientific article; zbMATH DE number 6370157
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| English | Numerical integrators for the hybrid Monte Carlo method |
scientific article; zbMATH DE number 6370157 |
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Numerical integrators for the hybrid Monte Carlo method (English)
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17 November 2014
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A methodology is given for constructing efficient methods for the numerical integration of the Hamiltonian differential equations that arise in a hybrid Monte Carlo method and related simulations. The approach is based on optimizing the behavior of a function over a relevant range of values of the step-length. New split-step integrators are constructed with two, three or four function evaluations per time-step It is claimed that the splitting formulae suggested here are more efficient than the standard Verlet method, especially if the number of dimensions is high.
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hybrid Monte Carlo method
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Markov chain Monte Carlo
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acceptance probability
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Hamiltonian dynamics
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reversibility
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volume preservation
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symplectic integrators
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Verlet method
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split-step integrator
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stability
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error constant
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molecular dynamics
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