caa a22 4500 445391138 CHVBK 20180317143047.0 cr unu---uuuuu 170323e20110801xx s 000 0 eng 10.1007/s10955-011-0249-0 doi (NATIONALLICENCE)springer-10.1007/s10955-011-0249-0 Monte Carlo Methods for Rough Free Energy Landscapes: Population Annealing and Parallel Tempering [Elektronische Daten] [J. Machta, R. Ellis] Parallel tempering and population annealing are both effective methods for simulating equilibrium systems with rough free energy landscapes. Parallel tempering, also known as replica exchange Monte Carlo, is a Markov chain Monte Carlo method while population annealing is a sequential Monte Carlo method. Both methods overcome the exponential slowing associated with high free energy barriers. The convergence properties and efficiencies of the two methods are compared. For large systems, population annealing is closer to equilibrium than parallel tempering for short simulations. However, with respect to the amount of computation, parallel tempering converges exponentially while population annealing converges only inversely. As a result, for sufficiently long simulations parallel tempering approaches equilibrium more quickly than population annealing. Springer Science+Business Media, LLC, 2011 Monte Carlo methods nationallicence Parallel tempering nationallicence Population annealing nationallicence Machta J. Physics Department, University of Massachusetts, 01003, Amherst, MA, USA aut Ellis R. Department of Mathematics and Statistics, University of Massachusetts, 01003, Amherst, MA, USA aut Journal of Statistical Physics Springer US; http://www.springer-ny.com 144/3(2011-08-01), 541-553 0022-4715 144:3<541 2011 144 10955 https://doi.org/10.1007/s10955-011-0249-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10955-011-0249-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Machta J. Physics Department, University of Massachusetts, 01003, Amherst, MA, USA aut NATIONALLICENCE 700 1- Ellis R. Department of Mathematics and Statistics, University of Massachusetts, 01003, Amherst, MA, USA aut NATIONALLICENCE 773 0- Journal of Statistical Physics Springer US; http://www.springer-ny.com 144/3(2011-08-01), 541-553 0022-4715 144:3<541 2011 144 10955 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer