Symmetric Molecular Dynamics
Statistical Mechanics
2022-06-22 v3 Chemical Physics
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.
Keywords
Cite
@article{arxiv.2204.01114,
title = {Symmetric Molecular Dynamics},
author = {Sam Cox and Andrew D. White},
journal= {arXiv preprint arXiv:2204.01114},
year = {2022}
}