On computational efficiency of the hybrid Monte Carlo method applied to the multicanonical ensemble. Issue 13 (2nd November 2017)

• Record Type: Journal Article
• Authors: Tagawa, Tsugumichi; Kaneko, Toshihiro; Miura, Shinichi
• Is Part Of: Molecular simulation. Volume 43:Issue 13/16(2017)
• Page Start: 1291
• Page End: 1294
• Publication Date: 2017-11-02
• Subjects: Multicanonical ensemble -- hybrid Monte Carlo -- Lennard–Jones liquids -- statistical inefficiency; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2017.1342125
• Languages: English
• ISSNs: 0892-7022

Abstract

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.