SporTran: a code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series

DOI10.1016/j.cpc.2022.108470arXiv2202.11571MaRDI QIDQ6043070

Stefano Baroni, Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi

Publication date: 4 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2202.11571

zbMATH Keywords

transport coefficientstime seriesmolecular dynamicslinear responsecepstral analysisGreen Kubo

Mathematics Subject Classification ID

Statistics (62-XX) Statistical mechanics, structure of matter (82-XX)

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Cites Work

• Fast parallel algorithms for short-range molecular dynamics
• Reciprocal Relations in Irreversible Processes. I.
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