The combinations of two well-known generalized-ensemble algorithms, which includes simulated tempering and replica-exchange method were discussed. In the replica-exchange simulated tempering, a short replica-exchange simulation was performed and the simulated tempering weight factor was obtained by the multiple-histogram reweighting techniques. The simulated tempering replica-exchange method was a further extension of the former in which a simulated tempering replica-exchange simulation was performed with a small number of replicas. These algorithms were found to be useful for studying frustrated systems with rough energy landscape.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry