Ingenuity in performing replica permutation: How to order the state labels for improving sampling efficiency-Reference-Cited by-同舟云学术

Ingenuity in performing replica permutation: How to order the state labels for improving sampling efficiency

Published:2022-11-08 Issue:4 Volume:44 Page:534-545
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Fukuhara Daiki¹²^ORCID,Yamauchi Masataka¹²^ORCID,Itoh Satoru G.¹²³^ORCID,Okumura Hisashi¹²³^ORCID

Affiliation:

1. Department of Structural Molecular Science SOKENDAI (The Graduate University for Advanced Studies) Okazaki Japan

2. Department of Theoretical and Computational Molecular Science Institute for Molecular Science, National Institutes of Natural Sciences Okazaki Japan

3. Exploratory Research Center on Life and Living Systems (ExCELLS) National Institutes of Natural Sciences Okazaki Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27020

Reference68 articles.

1. Multicanonical algorithms for first order phase transitions

2. Multicanonical ensemble: A new approach to simulate first-order phase transitions

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4. New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles

5. Simulated Tempering: A New Monte Carlo Scheme

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