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Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering Simulations.

Ballard, Andrew J et al.
Apollo · Papers
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34-chemical-sciences
Effective parallel tempering simulations rely crucially on a properly chosen sequence of temperatures. While it is desirable to achieve a uniform exchange acceptance rate across neighboring replicas, finding a set of temperatures that achieves this end is often a difficult task, in particular for sy
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