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Updated: Sep 8, 2025

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
Published on: August 9, 2024
Symmetric Molecular Dynamics
1Department of Chemical Engineering, University of Rochester, Rochester, New York 14627, United States.
Abstract:
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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