Parallel tempering: Theory, applications, and new perspectives

2005/01/01 by David J. Earl, Michael W. Deem · 1,313 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Block Copolymer Self-Assembly #Data set #Machine Learning in Materials Science #Parallel processing #Parallel tempering #Protein Structure and Dynamics #Set (abstract data type) #cond-mat.stat-mech #physics.chem-ph #physics.comp-ph

paper · pdf · doi:10.1039/b509983h

published in Physical Chemistry Chemical Physics 7(23), 3910 (Royal Society of Chemistry) · 21 pages, 4 figures

openalex publication_date 2005/01/01 · arxiv created 2005/08/19 · openalex created_date 2016/06/24 · arxiv updated 2017/09/13 · openalex updated_date 2026/08/08

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.

Citations

• Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape
• Molecular dynamics of C-peptide of ribonuclease A studied by replica-exchange Monte Carlo method and diffusion theory
• Multidimensional replica-exchange method for free-energy calculations
• Parallel excluded volume tempering for polymer melts
• Monte Carlo simulations of vector spin glasses at low temperatures
• A finite-size scaling study of a model of globular proteins

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