Bootstrapping time correlation functions of molecular dynamics

Molecular dynamics is often considered as a numerical experiment. The error bars on the results are therefore mandatory, but sometimes difficult to determine and computationally demanding. As a low-cost approach, we describe the application of the bootstrap (BS) method to the quantification of uncer...

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Veröffentlicht in:	Physical review. E 2021-11, Vol.104 (5), p.055310-055310, Article 055310
Hauptverfasser:	Desbiens, Nicolas, Arnault, Philippe, Weens, William, Dubois, Vincent, Perrin, Guillaume
Format:	Artikel
Sprache:	eng
Schlagworte:	Physical Sciences Physics Physics, Fluids & Plasmas Physics, Mathematical Science & Technology
Online-Zugang:	Volltext
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