Parallel tempering: theory, applications, and new perspectives.
We review the history of the parallel tempering simulation method. From its origins in data analysis, the parallel tempering method has become a standard workhorse of physicochemical simulations. We discuss the theory behind the method and its various generalizations. We mention a selected set of the many applications that have become possible with the introduction of parallel tempering, and we suggest several promising avenues for future research.
Earl
David J
DJ
Department of Bioengineering, Rice University, 6100 Main Street MS142, Houston, Texas 77005, USA. earl@thphys.ox.ac.uk
Deem
Michael W
MW
D000596:Amino Acids / Q000737:chemistry; D001672:Biocompatible Materials / Q000737:chemistry*; D001703:Biophysics / Q000379:methods; D002627:Chemistry, Physical / Q000379:methods*; D003198:Computer Simulation; D015233:Models, Statistical; D008962:Models, Theoretical; D009010:Monte Carlo Method; D010455:Peptides / Q000737:chemistry; D011108:Polymers / Q000737:chemistry; D011506:Proteins / Q000737:chemistry*; D011789:Quantum Theory; D013696:Temperature
D000596:Amino Acids; D001672:Biocompatible Materials; D010455:Peptides; D011108:Polymers; D011506:Proteins