Swap algorithm

YJ Yuliang Jin
PU Pierfrancesco Urbani
FZ Francesco Zamponi
HY Hajime Yoshino
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At each dynamical step, the swap Monte Carlo algorithm attempts to exchange the positions of two randomly picked particles as long as they do not overlap with their new neighbors. These nonlocal Monte Carlo moves eliminate the local confinement of particles in supercooled states, which, combined with standard event-driven MD, substantially facilitates the equilibration procedure. It has been carefully examined that the swap algorithm does not introduce crystalline order in the polydisperse HS model studied here (20).

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