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Symmetric Molecular Dynamics
[Image: see text] We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crystals under all planar groups is created with symmetric molecular dynamics.
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281392/ https://www.ncbi.nlm.nih.gov/pubmed/35699649 http://dx.doi.org/10.1021/acs.jctc.2c00401 |