article Open AccessTop 10% cited
Parallel tempering: Theory, applications, and new perspectives
Physical Chemistry Chemical Physics · 2005 · Vol. 7(23) · pp. 3910–3910
David J. Earl✉(Rice University)Michael W. Deem(Rice University)
Abstract
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.
Protein Structure and DynamicsMachine Learning in Materials ScienceBlock Copolymer Self-AssemblyParallel temperingSet (abstract data type)Parallel processingData set
MeSH terms
Amino AcidsBiocompatible MaterialsBiophysicsChemistry, PhysicalComputer SimulationModels, TheoreticalMonte Carlo MethodPeptidesPolymersProteinsQuantum TheoryTemperatureModels, Statistical
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References
Replica-exchange molecular dynamics method for protein folding
Chemical Physics Letters · 1999 · 4,578 citations
Parallel tempering algorithm for conformational studies of biological molecules
Chemical Physics Letters · 1997 · 994 citations
<i>FOX</i>, `free objects for crystallography': a modular approach to<i>ab initio</i>structure determination from powder diffraction
Journal of Applied Crystallography · 2002 · 1,310 citations
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