MDSuite: comprehensive post-processing tool for particle simulations

Particle-Based (PB) simulations, including Molecular Dynamics (MD), provide access to system observables that are not easily available experimentally. However, in most cases, PB data needs to be processed after a simulation to extract these observables. One of the main challenges in post-processing...

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Detalles Bibliográficos
Autores principales: Tovey, Samuel, Zills, Fabian, Torres-Herrador, Francisco, Lohrmann, Christoph, Brückner, Marco, Holm, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921696/
https://www.ncbi.nlm.nih.gov/pubmed/36774469
http://dx.doi.org/10.1186/s13321-023-00687-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921696/
https://www.ncbi.nlm.nih.gov/pubmed/36774469
http://dx.doi.org/10.1186/s13321-023-00687-y

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