Umbrella sampling and simulated tempering

MaRDI QIDQ4249733zbMATH OpenFDO

Authors Neal Madras

Publication date 10 November 1999

zbMATH Keywords

convergenceimportance samplingIsing modelMarkov chainMetropolis algorithmMonte Carlo methodsphase transitionpolymer collapsesimulated temperingumbrella sampling

Mathematics Subject Classification ID

Markov chains (discrete-time Markov processes on discrete state spaces) (60J10) Probabilistic methods, stochastic differential equations (65C99) Phase transitions (general) in equilibrium statistical mechanics (82B26) Statistical mechanics of polymers (82D60)

Recommendations

• Large deviations in Monte Carlo methods
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Cited in

(20)

• Adaptive umbrella sampling: Self-consistent determination of the non- Boltzmann bias
• Enhanced sampling in simulations of dense systems
• The sample size required in importance sampling
• Distance between configurations in Markov chain Monte Carlo simulations
• Markov chain decomposition for convergence rate analysis
• Determining efficient temperature sets for the simulated tempering method
• On swapping and simulated tempering algorithms.
• Simulated tempering and swapping on mean-field models
• On the swapping algorithm
• Multi-point nonequilibrium umbrella sampling and associated fluctuation relations
• The simulated tempering method in the infinite switch limit with adaptive weight learning
• Equi-energy sampling does not converge rapidly on the mean-field Potts model with three colors close to the critical temperature
• Self-healing umbrella sampling: convergence and efficiency
• Large deviations in Monte Carlo methods
• Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure
• Flux tempered metadynamics
• Umbrella sampling in non-equilibrium computer simulations
• The swapping algorithm for the Hopfield model with two patterns
• Comparison of the parallel tempering algorithm and multicanonical method as applied to coarse-grained off-lattice models for folding heteropolymers
• Path sampling with stochastic dynamics: some new algorithms

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