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April 1, 2026Open Access

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

伸三伸一三浦 TTTsugumichi TagawaKanazawa University TKToshihiro KanekoNissan (Japan)

Key Points

The aim is to evaluate the computational efficiency of the hybrid Monte Carlo method for the multicanonical ensemble.
Analyzed hybrid Monte Carlo method in the context of the multicanonical ensemble.
Evaluated performance based on acceptance ratios during simulations.
Compared results with standard hybrid Monte Carlo for canonical ensemble.
High acceptance ratios lead to improved computational efficiency.
Optimal performance is achieved at around 60% acceptance ratio for the system analyzed.

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. © 2017 Informa UK Limited, trading as Taylor & Francis Group

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