HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter

[Image: see text] We present HylleraasMD (HyMD), a comprehensive implementation of the recently proposed Hamiltonian formulation of hybrid particle-field molecular dynamics. The methodology is based on a tunable, grid-independent length-scale of coarse graining, obtained by filtering particle densit...

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Detalles Bibliográficos
Autores principales: Ledum, Morten, Sen, Samiran, Li, Xinmeng, Carrer, Manuel, Feng, Yu, Cascella, Michele, Bore, Sigbjørn Løland
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210244/
https://www.ncbi.nlm.nih.gov/pubmed/37130290
http://dx.doi.org/10.1021/acs.jctc.3c00134

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210244/
https://www.ncbi.nlm.nih.gov/pubmed/37130290
http://dx.doi.org/10.1021/acs.jctc.3c00134

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