On computational efficiency of the hybrid Monte Carlo method applied to the multicanonical ensemble

Abstract

In the present paper, computational efficiency of the hybrid Monte Carlo (HMC) method applied to the multicanonical ensemble is studied; the HMC is an equation of motion guided Monte Carlo method. As in the standard HMC for the canonical ensemble, the multicanonical HMC calculations with high acceptance ratio show better efficiency; about 60% acceptance yields the best performance for the system examined.

Keywords:

• Multicanonical ensemble
• hybrid Monte Carlo
• Lennard–Jones liquids
• statistical inefficiency

Notes

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was partially supported by Kanazawa University SAKIGAKE Project.