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Convective Replica-Exchange in Ergodic Regimes
[article]
2014
arXiv
pre-print
In a recent article (J. Comput. Chem. 2013, 34, 132-140), convective Replica-Exchange (convective-RE) has been presented as an alternative to the standard even-odd transition scheme. Computations on systems of various complexity have shown that convective-RE may increase the number of replica round-trips in temperature space with respect to the standard exchange scheme, leading to a more effective sampling of energy basins. Moreover, it has been shown that the method may prevent the formation
arXiv:1307.2115v3
fatcat:xowm44ouxfajvib5vp4bgma6ba