Detailed comparisons of performances of the generalized-ensemble algorithms were given with a more complex system. It was shown that these new algorithms were much more efficient and effective than a well-known generalized-ensemble algorithm, namely a replica-exchange method. It turned out that iterations of replica-exchange multicanonical algorithm (REMUCA) and/or multicanonical replica-exchange method (MUCAREM) simulations further improve the performance.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry