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Replica Exchange of Expanded Ensembles: A Generalized Ensemble Approach with Enhanced Flexibility and Parallelizability.

Authors :
Hsu, Wei-Tse
Shirts, Michael R.
Source :
Journal of Chemical Theory & Computation; 7/23/2024, Vol. 20 Issue 14, p6062-6081, 20p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
14
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
178864617
Full Text :
https://doi.org/10.1021/acs.jctc.4c00484