Quasi symplectic algorithms for the numerical integration of Langevin equations describing systems in a canonical ensemble are discussed. It is shown that they could be an alternative to molecular dynamics simulations done with a Nose Hoover booster.
Quasi symplectic integrators: An alternative to Nose Hoover dynamics?
MANNELLA, RICCARDO
2005-01-01
Abstract
Quasi symplectic algorithms for the numerical integration of Langevin equations describing systems in a canonical ensemble are discussed. It is shown that they could be an alternative to molecular dynamics simulations done with a Nose Hoover booster.File in questo prodotto:
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