Non-reversibility of molecular dynamics trajectories

Non-reversibility of molecular dynamics trajectories

We study the non-reversibility of molecular dynamics trajectories arising from the amplification of rounding errors. We analyse the causes of such behaviour and give arguments indicating that this does not pose a significant problem for Hybrid Monte Carlo computations. We present data for pure SU (3...

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Bibliographic Details
Published in:Nuclear physics. Section B, Proceedings supplement Proceedings supplement, 1997-02, Vol.53 (1), p.971-973
Main Authors: Edwards, R.G., Horváth, Ivan, Kennedy, A.D.
Format: Article
Language:eng
Online Access:Get full text
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Summary:We study the non-reversibility of molecular dynamics trajectories arising from the amplification of rounding errors. We analyse the causes of such behaviour and give arguments indicating that this does not pose a significant problem for Hybrid Monte Carlo computations. We present data for pure SU (3) gauge theory and for QCD with dynamical fermions on small lattices to illustrate and to support some of our ideas.
ISSN:0920-5632
1873-3832