Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Lorién López-Villellas"'
Publikováno v:
Parallel Processing and Applied Mathematics ISBN: 9783031304415
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d842f005dfdd4f2508f723afba38228
https://doi.org/10.1007/978-3-031-30442-2_1
https://doi.org/10.1007/978-3-031-30442-2_1
Autor:
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
Publikováno v:
Computer Physics Communications. 288:108742
In molecular dynamics simulations we can often increase the time step by imposing constraints on bond lengths and bond angles. This allows us to extend the length of the time interval and therefore the range of physical phenomena that we can afford t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01e69cf822f10af76e01ab391c495364
https://doi.org/10.1016/j.cpc.2023.108742
https://doi.org/10.1016/j.cpc.2023.108742
Autor:
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
In molecular dynamics simulations we can often increase the time step by imposing constraints on internal degrees of freedom, such as bond lengths and bond angles. This allows us to extend the length of the time interval and therefore the range of ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6ea6b3f72c9408baa01678ec3b924e90
https://doi.org/10.1101/2022.09.28.509839
https://doi.org/10.1101/2022.09.28.509839