Comparing parallel- and simulated-tempering-enhanced sampling algorithms at phase-transition regimes
Comparing parallel- and simulated-tempering-enhanced sampling algorithms at phase-transition regimes
Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g., due to a phase space separated by large free-energy barriers. This is so for systems around first-order phase transitions, a case still not fully explored with such …