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Accurate and efficient constrained molecular dynamics of polymers using Newton's method and special purpose code

Lorién López-Villellas; Carl Christian Kjelgaard Mikkelsen; Juan José Galano-Frutos; Santiago Marco-Sola; Jesús Alastruey-Benedé; Pablo Ibáñez; Miquel Moretó; Javier Sancho; Pablo García-Risueño
Computer Physics Communications · Vol. 288 · pp. 108742 · 2023
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Abstract

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Bibliographic Information

JournalComputer Physics Communications
PublisherNorth-Holland
Publication Date2023-07-01
Publication Year2023
Volume288
Pages108742
Document TypeJournal Article
eISSN0010-4655
DOI10.1016/j.cpc.2023.108742
SubjectEarth and Planetary Sciences

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NARA Access Coverage1969-07-01~Current
Journal Homepagehttps://www.sciencedirect.com/science/journal/00104655
Publisher PageOpen Publisher Page
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