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arxiv: 2204.01114 · v3 · pith:6VK56YYAnew · submitted 2022-04-03 · ❄️ cond-mat.stat-mech · physics.chem-ph

Symmetric Molecular Dynamics

classification ❄️ cond-mat.stat-mech physics.chem-ph
keywords dynamicsmolecularsymmetricgroupsplanaratlasconfigurationscreated
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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.

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