Swap Monte Carlo is extended to a size-polydisperse diatomic molecular model and equilibrates it down to near the experimental glass transition with an estimated 1000 to 1,000,000 times speedup.
Harrison, The Dynamic Properties of Supercooled Liquids (Academic, New York, 1976)
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Swap Monte Carlo for diatomic molecules
Swap Monte Carlo is extended to a size-polydisperse diatomic molecular model and equilibrates it down to near the experimental glass transition with an estimated 1000 to 1,000,000 times speedup.