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

Published in: Comput. Phys. Commun. (2023)

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