<scp>Pre‐exascale HPC</scp> approaches for molecular dynamics simulations. Covid‐19 research: A use case

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Authors: Miłosz Wieczór, Vito Genna, Juan Aranda, Rosa M. Badia, Josep Lluís Gelpí, Vytautas Gapsys, Bert L. de Groot, Erik Lindahl, Martí Municoy, Adam Hospital, Modesto Orozco

Journal title: WIREs Computational Molecular Science

Journal number: 13

Journal publisher: Wiley

Published year: 2023

DOI identifier: 10.1002/WCMS.1622

ISSN: 1759-0876