Gaussian processes for finite size extrapolation of many-body simulations

Landinez Borda, Edgar Josué; Berard, Kenneth O.; Lopez, Annette; Rubenstein, Brenda

doi:10.1039/D4FD00051J

Title: Gaussian processes for finite size extrapolation of many-body simulations

Journal Article · 05 November 2024 · Faraday Discussions

DOI: https://doi.org/10.1039/D4FD00051J · OSTI ID:2446536

Landinez Borda, Edgar Josué ^[1]; Berard, Kenneth O. ^[1]; Lopez, Annette ^[2];

^[1]

Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA
Department of Physics, Brown University, Providence, Rhode Island 02912, USA

We employ Gaussian processes to more accurately and efficiently extrapolate many-body simulations to their thermodynamic limit.

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Sponsoring Organization:: USDOE

OSTI ID:: 2446536

Journal Information:: Faraday Discussions, Journal Name: Faraday Discussions Vol. 254; ISSN 1359-6640; ISSN FDISE6

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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