Parallel tempering: theory, applications, and new perspectives

Phys Chem Chem Phys. 2005 Dec 7;7(23):3910-6. doi: 10.1039/b509983h.


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.

Publication types

  • Review

MeSH terms

  • Amino Acids / chemistry
  • Biocompatible Materials / chemistry*
  • Biophysics / methods
  • Chemistry, Physical / methods*
  • Computer Simulation
  • Models, Statistical
  • Models, Theoretical
  • Monte Carlo Method
  • Peptides / chemistry
  • Polymers / chemistry
  • Proteins / chemistry*
  • Quantum Theory
  • Temperature


  • Amino Acids
  • Biocompatible Materials
  • Peptides
  • Polymers
  • Proteins